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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
100-02-7nonenonenoneC6H5NO3139.11-7.5665
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100-56-1highlowlowC6H5ClHg313.149-2.3575
100-06-1nonenonenoneC9H10O2150.176-1.6836
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100-65-2highnonenoneC6H7NO109.128-1.548
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
10000-42-7highhighlowC20H18N4O3362.388-5.7793
1000-30-2nonenonehighC9H16O140.225-7.4662
100012-67-7highhighhighC12H12O5236.222-19.846
100021-05-4nonenonenoneC21H28O2312.4510.95307
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
1000-86-8nonenonenoneC7H1296.1723-10.397
100-69-6nonenonenoneC7H7N105.14-4.4598
100-38-9nonenonehighC6H15NS133.2580.17671
100020-83-5nonenonelowC7H11O3B153.972-20.814
100005-12-7nonenonelowC11H10NCl191.662.2675
100020-94-8highnonelowC12H17OCl212.719-11.962
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
1000-57-3highnonelowC6H16SSn238.969-7.4261
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100-83-4highnonelowC7H6O2122.123-4.1407
10001-08-8nonenonehighC11H22N2O198.309-3.1037
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100-10-7nonehighhighC9H11NO149.192-1.8715
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-50-5nonenonehighC7H10O110.155-9.6048
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100-48-1nonenonenoneC6H4N2104.112-6.0498
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100-63-0highhighnoneC6H8N2108.144-4.3224