1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene

C24H28 — CID 143203796

IUPAC1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene
SMILESC=C/C(C)=C(\C=C)Cc1cc(C)cc(-c2cc(C)ccc2C)c1C
InChIInChI=1S/C24H28/c1-8-18(5)21(9-2)15-22-12-17(4)14-24(20(22)7)23-13-16(3)10-11-19(23)6/h8-14H,1-2,15H2,3-7H3/b21-18+
InChIKeyBPNLUIGSJAKVQV-DYTRJAOYSA-N
MW316.49 g/mol
LogP6.82
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene

1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene (PubChem CID 143203796) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene
PubChem CID143203796
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene
SMILESC=C/C(C)=C(\C=C)Cc1cc(C)cc(-c2cc(C)ccc2C)c1C
InChIInChI=1S/C24H28/c1-8-18(5)21(9-2)15-22-12-17(4)14-24(20(22)7)23-13-16(3)10-11-19(23)6/h8-14H,1-2,15H2,3-7H3/b21-18+
InChIKeyBPNLUIGSJAKVQV-DYTRJAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.82
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

[2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol
CID 22146242
1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene
CID 170954557
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
5-(2,5-dimethylphenyl)-4-methylpyridin-3-amine
CID 178203224
(1,4,6-trimethylazulen-2-yl)methanol
CID 11019893
5-(2,5-dimethylphenyl)-3-methylbenzene-1,2,4-triol
CID 101299521
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene
CID 90322355
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
1,4-dimethyl-2-(2-methylbut-3-enyl)benzene
CID 83928161
1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene
CID 134493004
butane;1,4-dimethyl-2-(2-methylphenyl)benzene
CID 142975298

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene (CID 143203796) is 1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene is C=C/C(C)=C(\C=C)Cc1cc(C)cc(-c2cc(C)ccc2C)c1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene?
The InChIKey is BPNLUIGSJAKVQV-DYTRJAOYSA-N. The full InChI is InChI=1S/C24H28/c1-8-18(5)21(9-2)15-22-12-17(4)14-24(20(22)7)23-13-16(3)10-11-19(23)6/h8-14H,1-2,15H2,3-7H3/b21-18+.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene?
1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene has a molecular weight of 316.49 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-2,5-dimethylbenzene is sourced from PubChem (CID 143203796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).