(2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C24H37NO2 — CID 6505796

About (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

(2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 6505796) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

Molecular Properties

• Compound Name: (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
• PubChem CID: 6505796
• Molecular Formula: C24H37NO2
• Molecular Weight: 371.57 g/mol
• Exact Mass: 371.28
• IUPAC Name: (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
• SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCCO)C(C)(C)CCC1
• InChI: InChI=1S/C24H37NO2/c1-19(13-14-22-21(3)12-9-15-24(22,4)5)10-8-11-20(2)18-23(27)25-16-6-7-17-26/h8,10-11,13-14,18,26H,6-7,9,12,15-17H2,1-5H3,(H,25,27)/b11-8+,14-13+,19-10+,20-18+
• InChIKey: JQOWIVYCQDQADF-QRQQOWFBSA-N
• XLogP: 5.41
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.57
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The IUPAC name of (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 6505796) is (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

What is the SMILES notation for (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The canonical SMILES for (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCCO)C(C)(C)CCC1.

What is the InChIKey of (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The InChIKey is JQOWIVYCQDQADF-QRQQOWFBSA-N. The full InChI is InChI=1S/C24H37NO2/c1-19(13-14-22-21(3)12-9-15-24(22,4)5)10-8-11-20(2)18-23(27)25-16-6-7-17-26/h8,10-11,13-14,18,26H,6-7,9,12,15-17H2,1-5H3,(H,25,27)/b11-8+,14-13+,19-10+,20-18+.

What are the key properties of (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

(2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 371.57 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 6505796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).