1-buta-1,3-dien-2-yl-3-ethenylbenzene

C12H12 — CID 173466216

IUPAC1-buta-1,3-dien-2-yl-3-ethenylbenzene
SMILESC=CC(=C)c1cccc(C=C)c1
InChIInChI=1S/C12H12/c1-4-10(3)12-8-6-7-11(5-2)9-12/h4-9H,1-3H2
InChIKeyUGZMBLJBKIPQSL-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.53
Rot. Bonds3

About 1-buta-1,3-dien-2-yl-3-ethenylbenzene

1-buta-1,3-dien-2-yl-3-ethenylbenzene (PubChem CID 173466216) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-3-ethenylbenzene.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-3-ethenylbenzene
PubChem CID173466216
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name1-buta-1,3-dien-2-yl-3-ethenylbenzene
SMILESC=CC(=C)c1cccc(C=C)c1
InChIInChI=1S/C12H12/c1-4-10(3)12-8-6-7-11(5-2)9-12/h4-9H,1-3H2
InChIKeyUGZMBLJBKIPQSL-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.53
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-ethenyl-3-[1-(3-ethenylphenyl)ethenyl]benzene
CID 177093061
1,3-bis(ethenyl)benzene;platinum;hexahydrochloride
CID 175502891
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
1-ethenyl-3-methylbenzene
CID 7529
1-buta-1,3-dien-2-yl-3-propylbenzene
CID 140596687
1-buta-1,3-dien-2-yl-3-ethoxybenzene
CID 123164385
N-[1-(3-ethenylphenyl)ethenyl]quinolin-8-amine
CID 167114615
benzene-1,3-dicarboxylic acid;styrene
CID 159798879
potassium;(3-ethenylphenyl)boronic acid;hydride
CID 175521054
1-buta-1,3-dien-2-yl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
CID 145073246
2-buta-1,3-dien-2-yl-1-ethenyl-3-methylbenzene
CID 145265911
3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane
CID 143898131

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-3-ethenylbenzene?
The IUPAC name of 1-buta-1,3-dien-2-yl-3-ethenylbenzene (CID 173466216) is 1-buta-1,3-dien-2-yl-3-ethenylbenzene.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-3-ethenylbenzene?
The canonical SMILES for 1-buta-1,3-dien-2-yl-3-ethenylbenzene is C=CC(=C)c1cccc(C=C)c1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-3-ethenylbenzene?
The InChIKey is UGZMBLJBKIPQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-4-10(3)12-8-6-7-11(5-2)9-12/h4-9H,1-3H2.
What are the key properties of 1-buta-1,3-dien-2-yl-3-ethenylbenzene?
1-buta-1,3-dien-2-yl-3-ethenylbenzene has a molecular weight of 156.23 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-3-ethenylbenzene is sourced from PubChem (CID 173466216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).