[(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane

C36H68O3Si3 — CID 5370694

About [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane

[(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane (PubChem CID 5370694) has the molecular formula C36H68O3Si3 and a molecular weight of 633.20 g/mol. Its IUPAC name is [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane
• PubChem CID: 5370694
• Molecular Formula: C36H68O3Si3
• Molecular Weight: 633.20 g/mol
• Exact Mass: 632.45
• IUPAC Name: [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane
• SMILES: C=C1CCC(O[Si](C)(C)C)C/C1=C/C=C1\CCCC2(C)C1CCC2C(C)CCCC(C)(CO[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C36H68O3Si3/c1-28-18-21-32(38-41(8,9)10)26-31(28)20-19-30-17-15-25-36(4)33(22-23-34(30)36)29(2)16-14-24-35(3,39-42(11,12)13)27-37-40(5,6)7/h19-20,29,32-34H,1,14-18,21-27H2,2-13H3/b30-19+,31-20-
• InChIKey: BDLATEXCSJQSBH-GJQFTQDBSA-N
• XLogP: 11.28
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.20
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?

The IUPAC name of [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane (CID 5370694) is [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane.

What is the SMILES notation for [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?

The canonical SMILES for [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane is C=C1CCC(O[Si](C)(C)C)C/C1=C/C=C1\CCCC2(C)C1CCC2C(C)CCCC(C)(CO[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?

The InChIKey is BDLATEXCSJQSBH-GJQFTQDBSA-N. The full InChI is InChI=1S/C36H68O3Si3/c1-28-18-21-32(38-41(8,9)10)26-31(28)20-19-30-17-15-25-36(4)33(22-23-34(30)36)29(2)16-14-24-35(3,39-42(11,12)13)27-37-40(5,6)7/h19-20,29,32-34H,1,14-18,21-27H2,2-13H3/b30-19+,31-20-.

What are the key properties of [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?

[(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane has a molecular weight of 633.20 g/mol, XLogP of 11.28, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-6,7-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 5370694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).