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1000 91 5 | Cheminformatics

Chemical : Dimethyl[(propan-2-yl)oxy]silane

Casrn : 1000-91-5

MolName : Dimethyl[(propan-2-yl)oxy]silane

MolecularFormula : C5H14OSi

Smiles : CC(C)O[SiH](C)C

InChI : InChI=1S/C5H14OSi/c1-5(2)6-7(3)4/h5,7H,1-4H3

InChIK : OARYFQYHTWCNQO-UHFFFAOYSA-N

CanonicalSyTyLFy : a0f5d142ea111358

TotalMolweight : 118.251

Molweight : 118.251

MonoisotopicMass : 118.081392

CLogP : 1.8781

CLogS : -0.901

H Acceptors : 1

TotalSurfaceArea : 91.79

Relative PSA : 0.10894

PolarSurfaceArea : 9.23

Druglikeness : -35.679

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.71429

Molecula Flexibility : 0.80857

Molecular Complexity : 0.4621

Fragments : 1

Non HAtoms : 7

NonCHAtoms : 2

Electronegative Atoms : 1

Rotatable Bond : 2

Sp3Atoms : 6

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100005-12-7nonenonelowC11H10NCl191.662.2675
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100-69-6nonenonenoneC7H7N105.14-4.4598
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-53-8nonehighhighC7H8S124.207-6.3177
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100-40-3nonenonehighC8H12108.183-9.1684
100-46-9nonenonenoneC7H9N107.155-2.0712
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100-38-9nonenonehighC6H15NS133.2580.17671
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100-76-5nonenonehighC7H13N111.1873.5517
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100007-67-8highnonelowC5H7OClF2156.559-12.702
1000269-65-7nonenonenoneC12H19N3205.3040.25629
10001-13-5nonenonehighC12H22N2O210.323.9217
1000-78-8highlownoneC11H24N2184.326-10.254
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100-73-2highnonenoneC6H8O2112.128-6.3422
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100-79-8nonelownoneC6H12O3132.158-9.8672
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100-09-4nonenonenoneC8H8O3152.149-1.597
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000000-13-4highhighhighC21H28O12472.441-0.17986
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
1000339-33-2nonenonenoneC10H11NClF199.6550.76
10000-51-8nonenonenoneC14H15NO3245.2770.10503
100011-00-5nonenonenoneC15H24O2236.354-18.044
100011-01-6nonenonenoneC9H18O2158.24-2.3462
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100012-67-7highhighhighC12H12O5236.222-19.846
1000-63-1nonenonehighC8H18O130.23-19.78
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100-66-3highnonehighC7H8O108.14-2.0846
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
10-13-2009nonenonenoneC15H14O5274.271-1.4702
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
10000-42-7highhighlowC20H18N4O3362.388-5.7793