[(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane

C26H49NOSi — CID 10550030

About [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane

[(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane (PubChem CID 10550030) has the molecular formula C26H49NOSi and a molecular weight of 419.77 g/mol. Its IUPAC name is [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane
• PubChem CID: 10550030
• Molecular Formula: C26H49NOSi
• Molecular Weight: 419.77 g/mol
• Exact Mass: 419.36
• IUPAC Name: [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane
• SMILES: CCCCCC/C=C/C=C/C1CCC[C@H]2CC[C@@H](O[Si](CC)(CC)CC)[C@@H](C)N12
• InChI: InChI=1S/C26H49NOSi/c1-6-10-11-12-13-14-15-16-18-24-19-17-20-25-21-22-26(23(5)27(24)25)28-29(7-2,8-3)9-4/h14-16,18,23-26H,6-13,17,19-22H2,1-5H3/b15-14+,18-16+/t23-,24?,25+,26-/m1/s1
• InChIKey: KGPXMKHEOPSSDA-XWYVEIRLSA-N
• XLogP: 7.86
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.77
LogP ≤ 5	7.86
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': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane?

The IUPAC name of [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane (CID 10550030) is [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane.

What is the SMILES notation for [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane?

The canonical SMILES for [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane is CCCCCC/C=C/C=C/C1CCC[C@H]2CC[C@@H](O[Si](CC)(CC)CC)[C@@H](C)N12.

What is the InChIKey of [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane?

The InChIKey is KGPXMKHEOPSSDA-XWYVEIRLSA-N. The full InChI is InChI=1S/C26H49NOSi/c1-6-10-11-12-13-14-15-16-18-24-19-17-20-25-21-22-26(23(5)27(24)25)28-29(7-2,8-3)9-4/h14-16,18,23-26H,6-13,17,19-22H2,1-5H3/b15-14+,18-16+/t23-,24?,25+,26-/m1/s1.

What are the key properties of [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane?

[(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane has a molecular weight of 419.77 g/mol, XLogP of 7.86, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-triethylsilane is sourced from PubChem (CID 10550030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).