4-methylpenta-2,3-dien-2-ylbenzene

C12H14 — CID 10725633

IUPAC4-methylpenta-2,3-dien-2-ylbenzene
SMILESCC(C)=C=C(C)c1ccccc1
InChIInChI=1S/C12H14/c1-10(2)9-11(3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyXPBFGZJAMMGHJU-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.65
Rot. Bonds1

About 4-methylpenta-2,3-dien-2-ylbenzene

4-methylpenta-2,3-dien-2-ylbenzene (PubChem CID 10725633) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-methylpenta-2,3-dien-2-ylbenzene.

Molecular Properties

Compound Name4-methylpenta-2,3-dien-2-ylbenzene
PubChem CID10725633
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name4-methylpenta-2,3-dien-2-ylbenzene
SMILESCC(C)=C=C(C)c1ccccc1
InChIInChI=1S/C12H14/c1-10(2)9-11(3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyXPBFGZJAMMGHJU-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-cyclopentylideneprop-1-en-2-ylbenzene
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1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
1-cyclohexylideneprop-1-en-2-ylbenzene
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4-propylsulfanylocta-2,3-dien-2-ylbenzene
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(2,7-dimethyl-6-phenylocta-2,6-dien-4-yn-3-yl)benzene
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1-(cyclotetradecaheptaenyl)ethanone
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1-phenylethaneselone
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(6E,9E)-2,5,5,11,11,14-hexamethyl-4,12-diphenylpentadeca-2,3,6,9,12,13-hexaen-8-one
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iron;1-phenylethanone
CID 70488357

Frequently Asked Questions

What is the IUPAC name of 4-methylpenta-2,3-dien-2-ylbenzene?
The IUPAC name of 4-methylpenta-2,3-dien-2-ylbenzene (CID 10725633) is 4-methylpenta-2,3-dien-2-ylbenzene.
What is the SMILES notation for 4-methylpenta-2,3-dien-2-ylbenzene?
The canonical SMILES for 4-methylpenta-2,3-dien-2-ylbenzene is CC(C)=C=C(C)c1ccccc1.
What is the InChIKey of 4-methylpenta-2,3-dien-2-ylbenzene?
The InChIKey is XPBFGZJAMMGHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-10(2)9-11(3)12-7-5-4-6-8-12/h4-8H,1-3H3.
What are the key properties of 4-methylpenta-2,3-dien-2-ylbenzene?
4-methylpenta-2,3-dien-2-ylbenzene has a molecular weight of 158.24 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-2,3-dien-2-ylbenzene is sourced from PubChem (CID 10725633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).