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

C50H98O4Si4 — CID 11147293

About [(1S,3Z,5R)-3-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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 11147293) has the molecular formula C50H98O4Si4 and a molecular weight of 875.67 g/mol. Its IUPAC name is [(1S,3Z,5R)-3-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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: 11147293
• Molecular Formula: C50H98O4Si4
• Molecular Weight: 875.67 g/mol
• Exact Mass: 874.65
• IUPAC Name: [(1S,3Z,5R)-3-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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]2CC[C@H]3C(CCCC(C)(C)O[Si](C)(C)C)CCCC(C)(C)O[Si](C)(C)C)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/C50H98O4Si4/c1-38-41(36-42(51-57(19,20)46(2,3)4)37-45(38)52-58(21,22)47(5,6)7)30-29-40-28-25-35-50(12)43(31-32-44(40)50)39(26-23-33-48(8,9)53-55(13,14)15)27-24-34-49(10,11)54-56(16,17)18/h29-30,39,42-45H,1,23-28,31-37H2,2-22H3/b40-29+,41-30-/t42-,43+,44+,45+,50-/m1/s1
• InChIKey: IJFROJAZJAWREN-SDKGLNSVSA-N
• XLogP: 16.40
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.67
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,3Z,5R)-3-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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 11147293) is [(1S,3Z,5R)-3-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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]2CC[C@H]3C(CCCC(C)(C)O[Si](C)(C)C)CCCC(C)(C)O[Si](C)(C)C)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-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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 IJFROJAZJAWREN-SDKGLNSVSA-N. The full InChI is InChI=1S/C50H98O4Si4/c1-38-41(36-42(51-57(19,20)46(2,3)4)37-45(38)52-58(21,22)47(5,6)7)30-29-40-28-25-35-50(12)43(31-32-44(40)50)39(26-23-33-48(8,9)53-55(13,14)15)27-24-34-49(10,11)54-56(16,17)18/h29-30,39,42-45H,1,23-28,31-37H2,2-22H3/b40-29+,41-30-/t42-,43+,44+,45+,50-/m1/s1.

What are the key properties of [(1S,3Z,5R)-3-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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 875.67 g/mol, XLogP of 16.40, 18 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-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-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 11147293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).