[3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene

C20H26 — CID 142299171

IUPAC[3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene
SMILESC=C(C(C1=CCC(C)(C)CC1)=C(C)C)c1ccccc1
InChIInChI=1S/C20H26/c1-15(2)19(16(3)17-9-7-6-8-10-17)18-11-13-20(4,5)14-12-18/h6-11H,3,12-14H2,1-2,4-5H3
InChIKeyDRJOOIFVDFHHDJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP6.17
Rot. Bonds3

About [3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene

[3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene (PubChem CID 142299171) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is [3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name[3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene
PubChem CID142299171
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name[3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene
SMILESC=C(C(C1=CCC(C)(C)CC1)=C(C)C)c1ccccc1
InChIInChI=1S/C20H26/c1-15(2)19(16(3)17-9-7-6-8-10-17)18-11-13-20(4,5)14-12-18/h6-11H,3,12-14H2,1-2,4-5H3
InChIKeyDRJOOIFVDFHHDJ-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
2-(1,2-diphenylprop-2-enylidene)propanedinitrile
CID 100995628
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
(5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene
CID 170149907
N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine
CID 123311258
ethane;2-phenylprop-2-enoic acid
CID 142472843
1-fluoro-4,4-dimethylcyclohexene
CID 89381329
(3E)-2-phenylpenta-1,3-dien-3-ol
CID 126638860
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
[(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate
CID 167697090

Frequently Asked Questions

What is the IUPAC name of [3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene?
The IUPAC name of [3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene (CID 142299171) is [3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene.
What is the SMILES notation for [3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene?
The canonical SMILES for [3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene is C=C(C(C1=CCC(C)(C)CC1)=C(C)C)c1ccccc1.
What is the InChIKey of [3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene?
The InChIKey is DRJOOIFVDFHHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-15(2)19(16(3)17-9-7-6-8-10-17)18-11-13-20(4,5)14-12-18/h6-11H,3,12-14H2,1-2,4-5H3.
What are the key properties of [3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene?
[3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene has a molecular weight of 266.43 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-dimethylcyclohexen-1-yl)-4-methylpenta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 142299171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).