1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene

C26H38 — CID 155748596

IUPAC1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene
SMILESC=C(C)Cc1cc(CCCCC)cc(C)c1C1C=C(C)CCC1C(=C)C
InChIInChI=1S/C26H38/c1-8-9-10-11-22-16-21(7)26(23(17-22)14-18(2)3)25-15-20(6)12-13-24(25)19(4)5/h15-17,24-25H,2,4,8-14H2,1,3,5-7H3
InChIKeyFBFVEOYARTZIJY-UHFFFAOYSA-N
MW350.59 g/mol
LogP7.86
Rot. Bonds8

About 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene

1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene (PubChem CID 155748596) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene.

Molecular Properties

Compound Name1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene
PubChem CID155748596
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Name1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene
SMILESC=C(C)Cc1cc(CCCCC)cc(C)c1C1C=C(C)CCC1C(=C)C
InChIInChI=1S/C26H38/c1-8-9-10-11-22-16-21(7)26(23(17-22)14-18(2)3)25-15-20(6)12-13-24(25)19(4)5/h15-17,24-25H,2,4,8-14H2,1,3,5-7H3
InChIKeyFBFVEOYARTZIJY-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene 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

1-methoxy-3-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene
CID 156727307
trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane
CID 553932
[3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate
CID 15139512
5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol
CID 158228926
1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene
CID 158715373
5-(4-hydroxybutyl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 155321288
3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol
CID 165154320
[3-methoxycarbonyloxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] methyl carbonate
CID 74398908
[3-(2-hydroxyacetyl)oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-hydroxyacetate
CID 25177323
5-heptyl-2-[(1S,6S)-6-prop-1-en-2-yl-3-(trideuteriomethyl)cyclohex-2-en-1-yl]benzene-1,3-diol
CID 156775256
2-[(6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;molecular hydrogen
CID 158177176
5-(3,3-dideuteriopentyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene-1,3-diol
CID 166567777

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene?
The IUPAC name of 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene (CID 155748596) is 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene.
What is the SMILES notation for 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene?
The canonical SMILES for 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene is C=C(C)Cc1cc(CCCCC)cc(C)c1C1C=C(C)CCC1C(=C)C.
What is the InChIKey of 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene?
The InChIKey is FBFVEOYARTZIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38/c1-8-9-10-11-22-16-21(7)26(23(17-22)14-18(2)3)25-15-20(6)12-13-24(25)19(4)5/h15-17,24-25H,2,4,8-14H2,1,3,5-7H3.
What are the key properties of 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene?
1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene has a molecular weight of 350.59 g/mol, XLogP of 7.86, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene is sourced from PubChem (CID 155748596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).