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

C43H74O4Si2 — CID 10876265

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

[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]pent-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 10876265) has the molecular formula C43H74O4Si2 and a molecular weight of 711.23 g/mol. Its IUPAC name is [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]pent-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]pent-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 10876265
• Molecular Formula: C43H74O4Si2
• Molecular Weight: 711.23 g/mol
• Exact Mass: 710.51
• IUPAC Name: [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]pent-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/CC4(C5(C)OCCO5)CC4)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C43H74O4Si2/c1-31(17-15-24-43(25-26-43)42(10)44-27-28-45-42)36-21-22-37-33(18-16-23-41(36,37)9)19-20-34-29-35(46-48(11,12)39(3,4)5)30-38(32(34)2)47-49(13,14)40(6,7)8/h15,17,19-20,31,35-38H,2,16,18,21-30H2,1,3-14H3/b17-15+,33-19+,34-20-/t31-,35-,36-,37+,38+,41-/m1/s1
• InChIKey: ASUJQVCJDRRTBB-KIELCZTQSA-N
• XLogP: 12.31
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.23
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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

The IUPAC name of [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]pent-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 10876265) is [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]pent-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

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

The canonical SMILES for [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]pent-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/CC4(C5(C)OCCO5)CC4)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.

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

The InChIKey is ASUJQVCJDRRTBB-KIELCZTQSA-N. The full InChI is InChI=1S/C43H74O4Si2/c1-31(17-15-24-43(25-26-43)42(10)44-27-28-45-42)36-21-22-37-33(18-16-23-41(36,37)9)19-20-34-29-35(46-48(11,12)39(3,4)5)30-38(32(34)2)47-49(13,14)40(6,7)8/h15,17,19-20,31,35-38H,2,16,18,21-30H2,1,3-14H3/b17-15+,33-19+,34-20-/t31-,35-,36-,37+,38+,41-/m1/s1.

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

[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]pent-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 711.23 g/mol, XLogP of 12.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]pent-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10876265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).