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

C33H58OSi — CID 166639122

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

[(1S,3E)-3-[(2Z)-2-[(1S,3aS,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 166639122) has the molecular formula C33H58OSi and a molecular weight of 498.91 g/mol. Its IUPAC name is [(1S,3E)-3-[(2Z)-2-[(1S,3aS,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1S,3E)-3-[(2Z)-2-[(1S,3aS,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 166639122
• Molecular Formula: C33H58OSi
• Molecular Weight: 498.91 g/mol
• Exact Mass: 498.43
• IUPAC Name: [(1S,3E)-3-[(2Z)-2-[(1S,3aS,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]1CC[C@H]2C(C)CCCC(C)C
• InChI: InChI=1S/C33H58OSi/c1-24(2)13-11-14-26(4)30-20-21-31-27(15-12-22-33(30,31)8)17-18-28-23-29(19-16-25(28)3)34-35(9,10)32(5,6)7/h17-18,24,26,29-31H,3,11-16,19-23H2,1-2,4-10H3/b27-17-,28-18+/t26?,29-,30-,31-,33+/m0/s1
• InChIKey: DWIUSINKAVTSCC-MTEIWOBESA-N
• XLogP: 10.65
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.91
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(1S,3E)-3-[(2Z)-2-[(1S,3aS,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 166639122) is [(1S,3E)-3-[(2Z)-2-[(1S,3aS,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

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

The canonical SMILES for [(1S,3E)-3-[(2Z)-2-[(1S,3aS,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]1CC[C@H]2C(C)CCCC(C)C.

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

The InChIKey is DWIUSINKAVTSCC-MTEIWOBESA-N. The full InChI is InChI=1S/C33H58OSi/c1-24(2)13-11-14-26(4)30-20-21-31-27(15-12-22-33(30,31)8)17-18-28-23-29(19-16-25(28)3)34-35(9,10)32(5,6)7/h17-18,24,26,29-31H,3,11-16,19-23H2,1-2,4-10H3/b27-17-,28-18+/t26?,29-,30-,31-,33+/m0/s1.

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

[(1S,3E)-3-[(2Z)-2-[(1S,3aS,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-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,3E)-3-[(2Z)-2-[(1S,3aS,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 166639122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).