(3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol

C20H37NO — CID 11781787

About (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol

(3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol (PubChem CID 11781787) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol.

Molecular Properties

• Compound Name: (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
• PubChem CID: 11781787
• Molecular Formula: C20H37NO
• Molecular Weight: 307.52 g/mol
• Exact Mass: 307.29
• IUPAC Name: (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
• SMILES: CCCCCCCC/C=C/[C@H]1CCC[C@@H]2CC[C@@H](O)[C@H](C)N21
• InChI: InChI=1S/C20H37NO/c1-3-4-5-6-7-8-9-10-12-18-13-11-14-19-15-16-20(22)17(2)21(18)19/h10,12,17-20,22H,3-9,11,13-16H2,1-2H3/b12-10+/t17-,18-,19+,20+/m0/s1
• InChIKey: HGIOZJPXGSPCLG-DRKCXEEKSA-N
• XLogP: 5.06
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	307.52
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?

The IUPAC name of (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol (CID 11781787) is (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol.

What is the SMILES notation for (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?

The canonical SMILES for (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol is CCCCCCCC/C=C/[C@H]1CCC[C@@H]2CC[C@@H](O)[C@H](C)N21.

What is the InChIKey of (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?

The InChIKey is HGIOZJPXGSPCLG-DRKCXEEKSA-N. The full InChI is InChI=1S/C20H37NO/c1-3-4-5-6-7-8-9-10-12-18-13-11-14-19-15-16-20(22)17(2)21(18)19/h10,12,17-20,22H,3-9,11,13-16H2,1-2H3/b12-10+/t17-,18-,19+,20+/m0/s1.

What are the key properties of (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?

(3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol has a molecular weight of 307.52 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol is sourced from PubChem (CID 11781787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).