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30314 70 6 | Cheminformatics

Chemical : (1-Ethoxyhexyl)(dimethyl)silane

Casrn : 30314-70-6

MolName : (1-Ethoxyhexyl)(dimethyl)silane

MolecularFormula : C10H24OSi

Smiles : CCCCCC(OCC)[SiH](C)C

InChI : InChI=1S/C10H24OSi/c1-5-7-8-9-10(11-6-2)12(3)4/h10,12H,5-9H2,1-4H3/t10-/m0/s1

InChIK : GMJNSIYGKGNLLZ-JTQLQIEISA-N

CanonicalSyTyLFy : 66533eaaa0f6a5dc

TotalMolweight : 188.386

Molweight : 188.386

MonoisotopicMass : 188.159642

CLogP : 4.4589

CLogS : -2.539

H Acceptors : 1

TotalSurfaceArea : 160.59

Relative PSA : 0.06227

PolarSurfaceArea : 9.23

Druglikeness : -47.074

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.75

Molecula Flexibility : 0.7107

Molecular Complexity : 0.54161

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 2

Electronegative Atoms : 1

StereoCenters : 1

Rotatable Bond : 7

Sp3Atoms : 11

Symmetricatoms : 1

StereoCon : racemate

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10-13-2009nonenonenoneC15H14O5274.271-1.4702
100-53-8nonehighhighC7H8S124.207-6.3177
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100-56-1highlowlowC6H5ClHg313.149-2.3575
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
1000-86-8nonenonenoneC7H1296.1723-10.397
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
1000-63-1nonenonehighC8H18O130.23-19.78
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100-48-1nonenonenoneC6H4N2104.112-6.0498
100033-28-1lownonehighC6H9N7179.186-2.3035
100-75-4highhighhighC5H10N2O114.147-0.86877
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100-87-8nonenonenoneC7H8O3S172.204-10.732
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100009-23-2nonenonehighC17H22226.362-9.7346
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100-27-6lownonenoneC8H9NO3167.163-9.2735
100-54-9nonenonenoneC6H4N2104.112-6.0498
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100-89-0nonenonelowC18H36O6B2370.1-16.157
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
100-12-9nonenonenoneC8H9NO2151.164-7.7443
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100-97-0highhighhighC6H12N4140.1891.5849
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100-50-5nonenonehighC7H10O110.155-9.6048
100-93-6highhighhighC19H18N2O2S338.43-12.848
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100-41-4highhighhighC8H10106.167-2.68
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
1000-78-8highlownoneC11H24N2184.326-10.254
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
100-68-5nonenonenoneC7H8S124.207-1.735
100-76-5nonenonehighC7H13N111.1873.5517
100005-44-5highnonelowC7H5O2ClS188.634-11.771
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405