[(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane

C43H82O3Si3 — CID 91374925

About [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane

[(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane (PubChem CID 91374925) has the molecular formula C43H82O3Si3 and a molecular weight of 731.38 g/mol. Its IUPAC name is [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane
• PubChem CID: 91374925
• Molecular Formula: C43H82O3Si3
• Molecular Weight: 731.38 g/mol
• Exact Mass: 730.56
• IUPAC Name: [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane
• SMILES: C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(=CC=C2CCC[C@]3(C)[C@@H]([C@@H](C)CCCCO[Si](C)(C)C(C)(C)C)CC[C@@H]23)C[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C43H82O3Si3/c1-32(22-19-20-29-44-47(13,14)40(3,4)5)36-26-27-37-35(23-21-28-43(36,37)12)25-24-34-30-38(45-48(15,16)41(6,7)8)33(2)39(31-34)46-49(17,18)42(9,10)11/h24-25,32,36-39H,2,19-23,26-31H2,1,3-18H3/t32-,36+,37-,38+,39+,43+/m0/s1
• InChIKey: DFZZEAXWZGUOJW-ILMSRLERSA-N
• XLogP: 14.01
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.38
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane (CID 91374925) is [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane is C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(=CC=C2CCC[C@]3(C)[C@@H]([C@@H](C)CCCCO[Si](C)(C)C(C)(C)C)CC[C@@H]23)C[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane?

The InChIKey is DFZZEAXWZGUOJW-ILMSRLERSA-N. The full InChI is InChI=1S/C43H82O3Si3/c1-32(22-19-20-29-44-47(13,14)40(3,4)5)36-26-27-37-35(23-21-28-43(36,37)12)25-24-34-30-38(45-48(15,16)41(6,7)8)33(2)39(31-34)46-49(17,18)42(9,10)11/h24-25,32,36-39H,2,19-23,26-31H2,1,3-18H3/t32-,36+,37-,38+,39+,43+/m0/s1.

What are the key properties of [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane?

[(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane has a molecular weight of 731.38 g/mol, XLogP of 14.01, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 91374925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).