2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene

C20H30O — CID 20648210

IUPAC2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
SMILESCO/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C20H30O/c1-16(9-7-10-17(2)15-21-6)12-13-19-18(3)11-8-14-20(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+
InChIKeyFAQCDDUORZVGON-DXYSAURFSA-N
MW286.46 g/mol
LogP6.12
Rot. Bonds5

About 2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene

2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene (PubChem CID 20648210) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
PubChem CID20648210
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
SMILESCO/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C20H30O/c1-16(9-7-10-17(2)15-21-6)12-13-19-18(3)11-8-14-20(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+
InChIKeyFAQCDDUORZVGON-DXYSAURFSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-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

Related Compounds

Retinyl methyl ether
CID 6436634
2-(9-Methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene
CID 92284
6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene
CID 122205507
2-(2-Methoxyethenyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 134833668
Magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide
CID 134939065
(1S,5R)-2-[(E)-2-methoxyethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 134987512
5-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-2-methyl-4-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-4,5-dihydrooxepine
CID 15345521
2-[(2E,7E)-6-tert-butyl-8-ethoxy-3,7-dimethylocta-2,4,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 102573373
2-[(E)-2-methoxyethenyl]-1,3,3-trimethylcyclohexene
CID 5314087
2-[(1E,3E,5E,7E,9E)-11-methoxy-3,7,10-trimethylundeca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 13730295
(5E)-4-cyclohexyl-1-methyl-5-(propoxymethylidene)cyclohexa-1,3-diene
CID 20146002
5-butyl-2,3-ditert-butyl-4H-pyran
CID 20872171

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene (CID 20648210) is 2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene is CO/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of 2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene?
The InChIKey is FAQCDDUORZVGON-DXYSAURFSA-N. The full InChI is InChI=1S/C20H30O/c1-16(9-7-10-17(2)15-21-6)12-13-19-18(3)11-8-14-20(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+.
What are the key properties of 2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene?
2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene has a molecular weight of 286.46 g/mol, XLogP of 6.12, 5 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)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 20648210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).