4-methylpenta-1,2,3-trienylbenzene

C12H12 — CID 11805007

IUPAC4-methylpenta-1,2,3-trienylbenzene
SMILESCC(C)=C=C=Cc1ccccc1
InChIInChI=1S/C12H12/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-5,8-10H,1-2H3
InChIKeyJIAAGZXWZYLJPJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.42
Rot. Bonds1

About 4-methylpenta-1,2,3-trienylbenzene

4-methylpenta-1,2,3-trienylbenzene (PubChem CID 11805007) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-methylpenta-1,2,3-trienylbenzene.

Molecular Properties

Compound Name4-methylpenta-1,2,3-trienylbenzene
PubChem CID11805007
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name4-methylpenta-1,2,3-trienylbenzene
SMILESCC(C)=C=C=Cc1ccccc1
InChIInChI=1S/C12H12/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-5,8-10H,1-2H3
InChIKeyJIAAGZXWZYLJPJ-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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hexa-1,2,3,5-tetraenylbenzene
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CID 150789549
[(4E)-3-methylhexa-1,2,4-trienyl]benzene
CID 53467438
1-[4-(3-phenylpropa-1,2-dienyl)phenyl]ethanone
CID 102318435
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CID 16724981
1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene
CID 10262404
acetic acid;stilbene
CID 172803728
1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride
CID 175335155
1,2-bis(3-methylbuta-1,2-dienyl)benzene
CID 12825766
(Z)-3-(chloromethyl)-4-phenylbut-3-en-2-one
CID 10878046
CID 14687861
CID 14687861

Frequently Asked Questions

What is the IUPAC name of 4-methylpenta-1,2,3-trienylbenzene?
The IUPAC name of 4-methylpenta-1,2,3-trienylbenzene (CID 11805007) is 4-methylpenta-1,2,3-trienylbenzene.
What is the SMILES notation for 4-methylpenta-1,2,3-trienylbenzene?
The canonical SMILES for 4-methylpenta-1,2,3-trienylbenzene is CC(C)=C=C=Cc1ccccc1.
What is the InChIKey of 4-methylpenta-1,2,3-trienylbenzene?
The InChIKey is JIAAGZXWZYLJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-5,8-10H,1-2H3.
What are the key properties of 4-methylpenta-1,2,3-trienylbenzene?
4-methylpenta-1,2,3-trienylbenzene has a molecular weight of 156.23 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-1,2,3-trienylbenzene is sourced from PubChem (CID 11805007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).