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

C29H55NOSi — CID 134980609

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

[(3R,4S,6S,9aS)-6-[(1E,3Z)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 134980609) has the molecular formula C29H55NOSi and a molecular weight of 461.85 g/mol. Its IUPAC name is [(3R,4S,6S,9aS)-6-[(1E,3Z)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(3R,4S,6S,9aS)-6-[(1E,3Z)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 134980609
• Molecular Formula: C29H55NOSi
• Molecular Weight: 461.85 g/mol
• Exact Mass: 461.41
• IUPAC Name: [(3R,4S,6S,9aS)-6-[(1E,3Z)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane
• SMILES: CCCCCC/C=C\C=C\[C@@H]1CCC[C@H]2CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)N21
• InChI: InChI=1S/C29H55NOSi/c1-9-10-11-12-13-14-15-16-18-27-19-17-20-28-21-22-29(26(8)30(27)28)31-32(23(2)3,24(4)5)25(6)7/h14-16,18,23-29H,9-13,17,19-22H2,1-8H3/b15-14-,18-16+/t26-,27+,28-,29+/m0/s1
• InChIKey: WRUQZCJNGUVFMO-NWMCNMBTSA-N
• XLogP: 9.04
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.85
LogP ≤ 5	9.04
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,4S,6S,9aS)-6-[(1E,3Z)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(3R,4S,6S,9aS)-6-[(1E,3Z)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane (CID 134980609) is [(3R,4S,6S,9aS)-6-[(1E,3Z)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane.

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

The canonical SMILES for [(3R,4S,6S,9aS)-6-[(1E,3Z)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane is CCCCCC/C=C\C=C\[C@@H]1CCC[C@H]2CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)N21.

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

The InChIKey is WRUQZCJNGUVFMO-NWMCNMBTSA-N. The full InChI is InChI=1S/C29H55NOSi/c1-9-10-11-12-13-14-15-16-18-27-19-17-20-28-21-22-29(26(8)30(27)28)31-32(23(2)3,24(4)5)25(6)7/h14-16,18,23-29H,9-13,17,19-22H2,1-8H3/b15-14-,18-16+/t26-,27+,28-,29+/m0/s1.

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

[(3R,4S,6S,9aS)-6-[(1E,3Z)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 461.85 g/mol, XLogP of 9.04, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S,6S,9aS)-6-[(1E,3Z)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134980609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).