[(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane

C24H38O2Si — CID 91746625

About [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane

[(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane (PubChem CID 91746625) has the molecular formula C24H38O2Si and a molecular weight of 386.65 g/mol. Its IUPAC name is [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane
• PubChem CID: 91746625
• Molecular Formula: C24H38O2Si
• Molecular Weight: 386.65 g/mol
• Exact Mass: 386.26
• IUPAC Name: [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane
• SMILES: CCCCCc1cc2c(c(O[Si](C)(C)C)c1)[C@H]1C=C(C)CC[C@@H]1C(C)(C)O2
• InChI: InChI=1S/C24H38O2Si/c1-8-9-10-11-18-15-21-23(22(16-18)26-27(5,6)7)19-14-17(2)12-13-20(19)24(3,4)25-21/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m0/s1
• InChIKey: JFPSLJJGWCHYOE-PMACEKPBSA-N
• XLogP: 7.24
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.65
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane?

The IUPAC name of [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane (CID 91746625) is [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane.

What is the SMILES notation for [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane?

The canonical SMILES for [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane is CCCCCc1cc2c(c(O[Si](C)(C)C)c1)[C@H]1C=C(C)CC[C@@H]1C(C)(C)O2.

What is the InChIKey of [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane?

The InChIKey is JFPSLJJGWCHYOE-PMACEKPBSA-N. The full InChI is InChI=1S/C24H38O2Si/c1-8-9-10-11-18-15-21-23(22(16-18)26-27(5,6)7)19-14-17(2)12-13-20(19)24(3,4)25-21/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m0/s1.

What are the key properties of [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane?

[(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane has a molecular weight of 386.65 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 91746625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).