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5356 89 8 | Cheminformatics

Chemical : (2,2-Di-tert-butoxyethenyl)(methyl)silane

Casrn : 5356-89-8

MolName : (2,2-Di-tert-butoxyethenyl)(methyl)silane

MolecularFormula : C11H24O2Si

Smiles : CC(C)(C)OC(OC(C)(C)C)=C[SiH2]C

InChI : InChI=1S/C11H24O2Si/c1-10(2,3)12-9(8-14-7)13-11(4,5)6/h8H,14H2,1-7H3

InChIK : XZXLAIPPJAWEIV-UHFFFAOYSA-N

CanonicalSyTyLFy : 1724bfa5420870a1

TotalMolweight : 216.396

Molweight : 216.396

MonoisotopicMass : 216.154557

CLogP : 3.2898

CLogS : -3.599

H Acceptors : 2

TotalSurfaceArea : 164.85

Relative PSA : 0.12132

PolarSurfaceArea : 18.46

Druglikeness : -37.507

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.5

Molecula Flexibility : 0.74632

Molecular Complexity : 0.49929

Fragments : 1

Non HAtoms : 14

NonCHAtoms : 3

Electronegative Atoms : 2

Rotatable Bond : 5

Sp3Atoms : 11

Symmetricatoms : 7

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-64-1highhighnoneC6H11NO113.159-6.4182
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100-47-0highnonehighC7H5N103.124-6.0498
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100009-88-9nonenonenoneC18H45N7359.604-4.1108
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
1000-30-2nonenonehighC9H16O140.225-7.4662
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-56-1highlowlowC6H5ClHg313.149-2.3575
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100-57-2highlowlowC6H6OHg294.703-2.3891
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100-52-7highhighhighC7H6O106.124-4.225
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000-00-6nonenonehighC10H26OSi2218.487-62.76
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
1000000-13-4highhighhighC21H28O12472.441-0.17986
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
1000269-68-0nonenonenoneC14H24N4248.3730.99367
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
1000339-33-2nonenonenoneC10H11NClF199.6550.76
1000284-53-6nonenonehighC18H36O2284.482-15.583
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100-13-0nonenonelowC8H7NO2149.149-10.212
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
1000269-65-7nonenonenoneC12H19N3205.3040.25629
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100011-01-6nonenonenoneC9H18O2158.24-2.3462
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000-41-5nonenonelowC10H18O154.252-9.05
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
100020-95-9highnonelowC12H17OCl212.719-11.962
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
100-40-3nonenonehighC8H12108.183-9.1684
100-19-6nonenonenoneC8H7NO3165.148-7.0365