[(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol

C37H54O2Si — CID 162214905

About [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol

[(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol (PubChem CID 162214905) has the molecular formula C37H54O2Si and a molecular weight of 558.92 g/mol. Its IUPAC name is [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol.

Molecular Properties

• Compound Name: [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol
• PubChem CID: 162214905
• Molecular Formula: C37H54O2Si
• Molecular Weight: 558.92 g/mol
• Exact Mass: 558.39
• IUPAC Name: [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol
• SMILES: C=C1CC[C@H]2[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]([C@@]3(C)CC[C@H](C)C[C@@H]3CO)CC[C@]12C
• InChI: InChI=1S/C37H54O2Si/c1-27-20-22-37(7,29(24-27)25-38)34-21-23-36(6)28(2)18-19-33(36)32(34)26-39-40(35(3,4)5,30-14-10-8-11-15-30)31-16-12-9-13-17-31/h8-17,27,29,32-34,38H,2,18-26H2,1,3-7H3/t27-,29+,32-,33-,34-,36+,37-/m0/s1
• InChIKey: WFOGERNABKRSJQ-HZRACAIPSA-N
• XLogP: 8.00
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.92
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol?

The IUPAC name of [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol (CID 162214905) is [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol.

What is the SMILES notation for [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol?

The canonical SMILES for [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol is C=C1CC[C@H]2[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]([C@@]3(C)CC[C@H](C)C[C@@H]3CO)CC[C@]12C.

What is the InChIKey of [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol?

The InChIKey is WFOGERNABKRSJQ-HZRACAIPSA-N. The full InChI is InChI=1S/C37H54O2Si/c1-27-20-22-37(7,29(24-27)25-38)34-21-23-36(6)28(2)18-19-33(36)32(34)26-39-40(35(3,4)5,30-14-10-8-11-15-30)31-16-12-9-13-17-31/h8-17,27,29,32-34,38H,2,18-26H2,1,3-7H3/t27-,29+,32-,33-,34-,36+,37-/m0/s1.

What are the key properties of [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol?

[(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol has a molecular weight of 558.92 g/mol, XLogP of 8.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,5S)-2-[(3aS,4R,5S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethylcyclohexyl]methanol is sourced from PubChem (CID 162214905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).