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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
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-87-8nonenonenoneC7H8O3S172.204-10.732
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100-65-2highnonenoneC6H7NO109.128-1.548
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
100011-00-5nonenonenoneC15H24O2236.354-18.044
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100-68-5nonenonenoneC7H8S124.207-1.735
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100011-01-6nonenonenoneC9H18O2158.24-2.3462
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100-79-8nonelownoneC6H12O3132.158-9.8672
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100021-05-4nonenonenoneC21H28O2312.4510.95307
100-96-9highnonenoneC7H10N2O138.169-1.7412
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100-92-5nonenonenoneC11H17N163.2631.1672
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
1000284-35-4nonenonehighC16H24O4280.363-11.936
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
1000-82-4lowhighhighC2H6N2O290.08160.41759
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100-83-4highnonelowC7H6O2122.123-4.1407
100005-12-7nonenonelowC11H10NCl191.662.2675
1000-78-8highlownoneC11H24N2184.326-10.254
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100-46-9nonenonenoneC7H9N107.155-2.0712
10002-97-8nonenonenoneC18H30O2278.4340.24997
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100010-21-7nonenonenoneC14H21NO219.327-4.2999
100-18-5nonenonenoneC12H18162.275-2.5088
100007-54-3nonenonenoneC28H30O13574.533-1.9839
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100-61-8highnonenoneC7H9N107.155-0.23765
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
1000-44-8highhighlowC7H7Cl126.586-8.5908
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988