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

C27H44O2Si — CID 91745210

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

[(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-triethylsilane (PubChem CID 91745210) has the molecular formula C27H44O2Si and a molecular weight of 428.73 g/mol. Its IUPAC name is [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-triethylsilane
• PubChem CID: 91745210
• Molecular Formula: C27H44O2Si
• Molecular Weight: 428.73 g/mol
• Exact Mass: 428.31
• IUPAC Name: [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-triethylsilane
• SMILES: CCCCCc1cc2c(c(O[Si](CC)(CC)CC)c1)[C@H]1C=C(C)CC[C@@H]1C(C)(C)O2
• InChI: InChI=1S/C27H44O2Si/c1-8-12-13-14-21-18-24-26(25(19-21)29-30(9-2,10-3)11-4)22-17-20(5)15-16-23(22)27(6,7)28-24/h17-19,22-23H,8-16H2,1-7H3/t22-,23-/m0/s1
• InChIKey: OVLDQOSCKIHJAF-GOTSBHOMSA-N
• XLogP: 8.41
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.73
LogP ≤ 5	8.41
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-triethylsilane?

The IUPAC name of [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-triethylsilane (CID 91745210) is [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-triethylsilane.

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

The canonical SMILES for [(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-triethylsilane is CCCCCc1cc2c(c(O[Si](CC)(CC)CC)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-triethylsilane?

The InChIKey is OVLDQOSCKIHJAF-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H44O2Si/c1-8-12-13-14-21-18-24-26(25(19-21)29-30(9-2,10-3)11-4)22-17-20(5)15-16-23(22)27(6,7)28-24/h17-19,22-23H,8-16H2,1-7H3/t22-,23-/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-triethylsilane?

[(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-triethylsilane has a molecular weight of 428.73 g/mol, XLogP of 8.41, 9 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-triethylsilane is sourced from PubChem (CID 91745210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).