4-methylpenta-1,3-dienylbenzene

C12H14 — CID 3614395

IUPAC4-methylpenta-1,3-dienylbenzene
SMILESCC(C)=CC=Cc1ccccc1
InChIInChI=1S/C12H14/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-10H,1-2H3
InChIKeyZVNDSQGHZLPKQV-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.67
Rot. Bonds2

About 4-methylpenta-1,3-dienylbenzene

4-methylpenta-1,3-dienylbenzene (PubChem CID 3614395) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-methylpenta-1,3-dienylbenzene.

Molecular Properties

Compound Name4-methylpenta-1,3-dienylbenzene
PubChem CID3614395
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name4-methylpenta-1,3-dienylbenzene
SMILESCC(C)=CC=Cc1ccccc1
InChIInChI=1S/C12H14/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-10H,1-2H3
InChIKeyZVNDSQGHZLPKQV-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.67
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-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
trimethyl-(4-phenyl-1-trimethylsilylbuta-1,3-dienyl)silane
CID 71383002
3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine
CID 143368310
4-(5-phenylpenta-2,4-dien-2-yl)phenol
CID 87425286
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
(3Z,5E)-3-methoxy-6-phenylhexa-3,5-dien-2-one
CID 101120530
N,3-dimethyl-6-phenylhexa-3,5-dien-2-amine
CID 103092958

Frequently Asked Questions

What is the IUPAC name of 4-methylpenta-1,3-dienylbenzene?
The IUPAC name of 4-methylpenta-1,3-dienylbenzene (CID 3614395) is 4-methylpenta-1,3-dienylbenzene.
What is the SMILES notation for 4-methylpenta-1,3-dienylbenzene?
The canonical SMILES for 4-methylpenta-1,3-dienylbenzene is CC(C)=CC=Cc1ccccc1.
What is the InChIKey of 4-methylpenta-1,3-dienylbenzene?
The InChIKey is ZVNDSQGHZLPKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-10H,1-2H3.
What are the key properties of 4-methylpenta-1,3-dienylbenzene?
4-methylpenta-1,3-dienylbenzene has a molecular weight of 158.24 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-1,3-dienylbenzene is sourced from PubChem (CID 3614395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).