[(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

C33H58OSi — CID 134982841

IUPAC[(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CCCC(C)C)CC[C@@H]23)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H58OSi/c1-24(2)14-11-15-25(3)29-21-22-30-28(17-13-23-33(29,30)8)20-19-27-16-12-18-31(26(27)4)34-35(9,10)32(5,6)7/h19-20,24-25,29-31H,4,11-18,21-23H2,1-3,5-10H3/b27-19-,28-20+/t25-,29?,30+,31+,33-/m1/s1
InChIKeyFXKNPLFNSIEMKV-DOFKZDLISA-N
MW498.91 g/mol
LogP10.65
Rot. Bonds8

About [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

[(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 134982841) has the molecular formula C33H58OSi and a molecular weight of 498.91 g/mol. Its IUPAC name is [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID134982841
Molecular FormulaC33H58OSi
Molecular Weight498.91 g/mol
Exact Mass498.43
IUPAC Name[(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CCCC(C)C)CC[C@@H]23)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H58OSi/c1-24(2)14-11-15-25(3)29-21-22-30-28(17-13-23-33(29,30)8)20-19-27-16-12-18-31(26(27)4)34-35(9,10)32(5,6)7/h19-20,24-25,29-31H,4,11-18,21-23H2,1-3,5-10H3/b27-19-,28-20+/t25-,29?,30+,31+,33-/m1/s1
InChIKeyFXKNPLFNSIEMKV-DOFKZDLISA-N
XLogP10.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.91
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 134982841) is [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CCCC(C)C)CC[C@@H]23)CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is FXKNPLFNSIEMKV-DOFKZDLISA-N. The full InChI is InChI=1S/C33H58OSi/c1-24(2)14-11-15-25(3)29-21-22-30-28(17-13-23-33(29,30)8)20-19-27-16-12-18-31(26(27)4)34-35(9,10)32(5,6)7/h19-20,24-25,29-31H,4,11-18,21-23H2,1-3,5-10H3/b27-19-,28-20+/t25-,29?,30+,31+,33-/m1/s1.
What are the key properties of [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
[(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 498.91 g/mol, XLogP of 10.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134982841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).