2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene

C24H38O — CID 18941805

IUPAC2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/COC(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C24H38O/c1-19(11-9-12-20(2)16-18-25-23(4,5)6)14-15-22-21(3)13-10-17-24(22,7)8/h9,11-12,14-16H,10,13,17-18H2,1-8H3/b12-9+,15-14+,19-11+,20-16+
InChIKeyIAFMHQXFXHONEJ-FYBJENTQSA-N
MW342.57 g/mol
LogP7.33
Rot. Bonds6

About 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene

2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene (PubChem CID 18941805) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
PubChem CID18941805
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/COC(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C24H38O/c1-19(11-9-12-20(2)16-18-25-23(4,5)6)14-15-22-21(3)13-10-17-24(22,7)8/h9,11-12,14-16H,10,13,17-18H2,1-8H3/b12-9+,15-14+,19-11+,20-16+
InChIKeyIAFMHQXFXHONEJ-FYBJENTQSA-N
XLogP7.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene (CID 18941805) is 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/COC(C)(C)C)C(C)(C)CCC1.
What is the InChIKey of 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene?
The InChIKey is IAFMHQXFXHONEJ-FYBJENTQSA-N. The full InChI is InChI=1S/C24H38O/c1-19(11-9-12-20(2)16-18-25-23(4,5)6)14-15-22-21(3)13-10-17-24(22,7)8/h9,11-12,14-16H,10,13,17-18H2,1-8H3/b12-9+,15-14+,19-11+,20-16+.
What are the key properties of 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene?
2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene has a molecular weight of 342.57 g/mol, XLogP of 7.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 18941805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).