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

C34H58OSi — CID 166639121

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

[(3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 166639121) has the molecular formula C34H58OSi and a molecular weight of 510.92 g/mol. Its IUPAC name is [(3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 166639121
• Molecular Formula: C34H58OSi
• Molecular Weight: 510.92 g/mol
• Exact Mass: 510.43
• IUPAC Name: [(3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C1CCC(O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C=C[C@H](C)C(C)C)CC[C@@H]12
• InChI: InChI=1S/C34H58OSi/c1-24(2)25(3)14-15-27(5)31-20-21-32-28(13-12-22-34(31,32)9)17-18-29-23-30(19-16-26(29)4)35-36(10,11)33(6,7)8/h14-15,17-18,24-25,27,30-32H,4,12-13,16,19-23H2,1-3,5-11H3/b15-14?,28-17-,29-18+/t25-,27+,30?,31+,32-,34+/m0/s1
• InChIKey: SPHUIJWPZSWHEE-IXCVDJNASA-N
• XLogP: 10.67
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.92
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 166639121) is [(3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

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

The canonical SMILES for [(3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1CCC(O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C=C[C@H](C)C(C)C)CC[C@@H]12.

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

The InChIKey is SPHUIJWPZSWHEE-IXCVDJNASA-N. The full InChI is InChI=1S/C34H58OSi/c1-24(2)25(3)14-15-27(5)31-20-21-32-28(13-12-22-34(31,32)9)17-18-29-23-30(19-16-26(29)4)35-36(10,11)33(6,7)8/h14-15,17-18,24-25,27,30-32H,4,12-13,16,19-23H2,1-3,5-11H3/b15-14?,28-17-,29-18+/t25-,27+,30?,31+,32-,34+/m0/s1.

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

[(3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 510.92 g/mol, XLogP of 10.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 166639121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).