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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
100-62-9lownonenoneC7H7N105.14-1.1924
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
100-93-6highhighhighC19H18N2O2S338.43-12.848
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100-13-0nonenonelowC8H7NO2149.149-10.212
100-57-2highlowlowC6H6OHg294.703-2.3891
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100011-01-6nonenonenoneC9H18O2158.24-2.3462
100-49-2nonenonenoneC7H14O114.187-9.3679
100-50-5nonenonehighC7H10O110.155-9.6048
100018-96-0highhighnoneC20H39O2I438.428-31.232
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
100-45-8nonenonehighC7H9N107.155-10.018
100-20-9highnonelowC8H4O2Cl2203.024-10.706
100-48-1nonenonenoneC6H4N2104.112-6.0498
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-63-0highhighnoneC6H8N2108.144-4.3224
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100-87-8nonenonenoneC7H8O3S172.204-10.732
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
100-12-9nonenonenoneC8H9NO2151.164-7.7443
100-56-1highlowlowC6H5ClHg313.149-2.3575
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100012-67-7highhighhighC12H12O5236.222-19.846
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
100-47-0highnonehighC7H5N103.124-6.0498
100-70-9nonenonenoneC6H4N2104.112-6.0498
100007-67-8highnonelowC5H7OClF2156.559-12.702
100017-22-9highhighhighC5H8O2100.117-8.1063
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
10001-13-5nonenonehighC12H22N2O210.323.9217
100-51-6highhighhighC7H8O108.14-2.2456
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100-44-7highhighnoneC7H7Cl126.586-2.365