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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
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100-47-0highnonehighC7H5N103.124-6.0498
100005-12-7nonenonelowC11H10NCl191.662.2675
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100009-92-5nonenonenoneC20H23NO4341.4064.6216
10-00-4nonenonenoneC28H34O8498.57-4.8409
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100010-02-4nonenonenoneC14H23NO221.343-6.1109
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100-39-0highhighnoneC7H7Br171.037-7.8241
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100020-83-5nonenonelowC7H11O3B153.972-20.814
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100-62-9lownonenoneC7H7N105.14-1.1924
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100-97-0highhighhighC6H12N4140.1891.5849
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100012-67-7highhighhighC12H12O5236.222-19.846
1000-83-5lowhighhighC2H6N2OS106.149-2.264
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
1000284-53-6nonenonehighC18H36O2284.482-15.583
100-93-6highhighhighC19H18N2O2S338.43-12.848
100009-88-9nonenonenoneC18H45N7359.604-4.1108
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100-53-8nonehighhighC7H8S124.207-6.3177
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000-50-6nonenonehighC6H15ClSi150.724-84.768
10002-30-9nonenonenoneC12H9NOS215.2750.083087
1000-63-1nonenonehighC8H18O130.23-19.78
1000-36-8nonenonenoneC11H25O3P236.29-27.011
100020-95-9highnonelowC12H17OCl212.719-11.962
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100016-58-8nonehighnoneC19H19NO5341.3621.8385
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
100017-22-9highhighhighC5H8O2100.117-8.1063
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100-54-9nonenonenoneC6H4N2104.112-6.0498
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100-29-8nonenonenoneC8H9NO3167.163-8.928
017257-81-7nonenonenoneC6H10O2114.1430.9106
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100-48-1nonenonenoneC6H4N2104.112-6.0498
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100-66-3highnonehighC7H8O108.14-2.0846
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6