2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene

C13H16 — CID 168947702

IUPAC2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
SMILESC=C/C=C(/C)c1ccc(C)cc1C
InChIInChI=1S/C13H16/c1-5-6-11(3)13-8-7-10(2)9-12(13)4/h5-9H,1H2,2-4H3/b11-6-
InChIKeyNRNURBICWLMZQQ-WDZFZDKYSA-N
MW172.27 g/mol
LogP3.89
Rot. Bonds2

About 2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene

2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene (PubChem CID 168947702) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
PubChem CID168947702
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
SMILESC=C/C=C(/C)c1ccc(C)cc1C
InChIInChI=1S/C13H16/c1-5-6-11(3)13-8-7-10(2)9-12(13)4/h5-9H,1H2,2-4H3/b11-6-
InChIKeyNRNURBICWLMZQQ-WDZFZDKYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.89
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

1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
CID 146991450
(1E)-1-(2,4-dimethylphenyl)buta-1,3-diene-1-sulfinate
CID 146288783
5-[(3Z,5E,7E)-8-(2,4-dimethylphenyl)-5,6-dimethylnona-1,3,5,7-tetraen-4-yl]-2-methylaniline
CID 145223761
1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene
CID 20657013
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene
CID 144777927
5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine
CID 144630318
N-[3-methyl-4-[(2E)-penta-2,4-dien-2-yl]phenyl]-2-(4-methylsulfanylphenyl)acetamide
CID 144540011
5-[(1E)-1-(2,4-dimethylphenyl)buta-1,3-dienyl]sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 142915593
1,4-dimethyl-2-[(1E)-1-phenylbuta-1,3-dienyl]benzene
CID 102501340

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene?
The IUPAC name of 2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene (CID 168947702) is 2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene is C=C/C=C(/C)c1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene?
The InChIKey is NRNURBICWLMZQQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H16/c1-5-6-11(3)13-8-7-10(2)9-12(13)4/h5-9H,1H2,2-4H3/b11-6-.
What are the key properties of 2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene?
2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene has a molecular weight of 172.27 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene is sourced from PubChem (CID 168947702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).