Chem 95 Pentaerythritol Tetra Pelargonate

Compound 46
  CheckMol                        TMF02:r0:m0
MF=C41H76O8 MW=697.05
 49 48  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0796    1.6587   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4066    2.2293   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535    2.4151   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213    1.6853   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6274    1.6853   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8217    2.4416   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9013    2.4416   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8350    3.9411   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5478    3.1980   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1222    1.7118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8881    3.9411   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5611    4.6975   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1412    2.6672   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4226    2.4682   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    4.6975   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743    6.1970   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872    0.9952   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7230    1.7383   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1487    6.1970   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8748    6.9534   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3004    6.9534   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5876    0.2654   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3052    0.2521   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0235    2.4947   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7363    0.2654   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483    6.9534   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3137    8.4529   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0398   -1.1943   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0368   -0.4644   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8350    8.4529   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142    9.2093   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3403   -1.9241   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0500   -1.9374   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9146    8.4794   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3535   -3.3971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3505   -2.6672   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2150    9.2358   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6540   -4.1269   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3637   -4.1402   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2283   10.7353   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6672   -5.5999   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6642   -4.8700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9544   11.4917   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9677   -6.3297   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6775   -6.3430   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9677   12.9912   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9809   -7.8027   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9779   -7.0728   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 22 28  1  0  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  1  0  0  0  0
 40 43  1  0  0  0  0
 41 44  1  0  0  0  0
 42 45  1  0  0  0  0
 43 46  1  0  0  0  0
 44 47  1  0  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
M  END

Pentaerythritol Tetra Pelargonate

₹ 0.00 0.00

Chemical Name - Pentaerythritol Tetra Pelargonate
Mol Weight - 697.046
Smiles - CCCCCCCCC(OCC(COC(CCCCCCCC)=O)(COC(CCCCCCCC)=O)COC(CCCCCCCC)=O)=O

Property Name	Property Value
Mol Name	Pentaerythritol Tetra Pelargonate
Molweight	697.046
Monoisotopic Mass	696.55402
Clogp	13.17
Clogs	-8.763
H Acceptors	8
Total Surface Area	624.27
Relative Psa	0.14763
Polar Surface Area	105.2
Druglikeness	-26.153
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.46939
Molecular Flexibility	0.64812
Molecular Complexity	0.64123
Fragments	1
Non H Atoms	49
Non Ch Atoms	8
Electronegative Atoms	8
Rotatable Bonds	40
Sp3 Atoms	41
Symmetric Atoms	36
Smiles	CCCCCCCCC(OCC(COC(CCCCCCCC)=O)(COC(CCCCCCCC)=O)COC(CCCCCCCC)=O)=O
InChIKey	InChI=1S/C41H76O8/c1-5-9-13-17-21-25-29-37(42)46-33-41(34-47-38(43)30-26-22-18-14-10-6-2,35-48-39(44)31-27-23-19-15-11-7-3)36-49-40(45)32-28-24-20-16-12-8-4/h5-36H2,1-4H3
InChI	IBKKMFMBXQARGV-UHFFFAOYSA-N

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile , trade leads and products are user generated content.

Molecule Properties are generated theoretically any objection please contact us

Shipping

Usually delivered in 3-4 days

Enter pincode for exact delivery dates/charges

Credit / Debit Card Payment

We accept all major credit / debit card for payment, you can also pay through online banking.

Cash On Delivery

If Available. Select Cash on Delivery (CoD) payment option while placing the order and later, pay in cash at the time of actual delivery of product. No advance payment needed.

Click to Load Molecule
1 - Pentaerythritol Tetra Pelargonate
2 - Pentaerythritol Tetra Pelargonate

Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Pentaerythritol Tetra Pelargonate