(3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol

C23H44O2Si — CID 135014172

About (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol

(3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol (PubChem CID 135014172) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol.

Molecular Properties

• Compound Name: (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
• PubChem CID: 135014172
• Molecular Formula: C23H44O2Si
• Molecular Weight: 380.69 g/mol
• Exact Mass: 380.31
• IUPAC Name: (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
• SMILES: CCCC[C@H]1[C@H](O)C2=C(CC[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1C
• InChI: InChI=1S/C23H44O2Si/c1-9-10-11-20-18(8)14-19-12-13-21(22(19)23(20)24)25-26(15(2)3,16(4)5)17(6)7/h15-18,20-21,23-24H,9-14H2,1-8H3/t18-,20+,21+,23-/m0/s1
• InChIKey: UJKLCZSZESCIRH-NQAVQENRSA-N
• XLogP: 6.84
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.69
LogP ≤ 5	6.84
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 (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol?

The IUPAC name of (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol (CID 135014172) is (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol.

What is the SMILES notation for (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol?

The canonical SMILES for (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol is CCCC[C@H]1[C@H](O)C2=C(CC[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1C.

What is the InChIKey of (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol?

The InChIKey is UJKLCZSZESCIRH-NQAVQENRSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-9-10-11-20-18(8)14-19-12-13-21(22(19)23(20)24)25-26(15(2)3,16(4)5)17(6)7/h15-18,20-21,23-24H,9-14H2,1-8H3/t18-,20+,21+,23-/m0/s1.

What are the key properties of (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol?

(3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol has a molecular weight of 380.69 g/mol, XLogP of 6.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol is sourced from PubChem (CID 135014172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).