penta-1,4-dien-3-ylbenzene

C11H12 — CID 15879286

IUPACpenta-1,4-dien-3-ylbenzene
SMILESC=CC(C=C)c1ccccc1
InChIInChI=1S/C11H12/c1-3-10(4-2)11-8-6-5-7-9-11/h3-10H,1-2H2
InChIKeyDBSDMAPJGHBWAL-UHFFFAOYSA-N
MW144.22 g/mol
LogP3.14
Rot. Bonds3

About penta-1,4-dien-3-ylbenzene

penta-1,4-dien-3-ylbenzene (PubChem CID 15879286) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is penta-1,4-dien-3-ylbenzene.

Molecular Properties

Compound Namepenta-1,4-dien-3-ylbenzene
PubChem CID15879286
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Namepenta-1,4-dien-3-ylbenzene
SMILESC=CC(C=C)c1ccccc1
InChIInChI=1S/C11H12/c1-3-10(4-2)11-8-6-5-7-9-11/h3-10H,1-2H2
InChIKeyDBSDMAPJGHBWAL-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
1-phenylprop-2-enyloxidanium
CID 135026196
1-iodoprop-2-enylbenzene
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1-chloroprop-2-enylbenzene
CID 11768772
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627
1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene
CID 102511686
2-(ethenylamino)-2-phenylacetaldehyde
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Frequently Asked Questions

What is the IUPAC name of penta-1,4-dien-3-ylbenzene?
The IUPAC name of penta-1,4-dien-3-ylbenzene (CID 15879286) is penta-1,4-dien-3-ylbenzene.
What is the SMILES notation for penta-1,4-dien-3-ylbenzene?
The canonical SMILES for penta-1,4-dien-3-ylbenzene is C=CC(C=C)c1ccccc1.
What is the InChIKey of penta-1,4-dien-3-ylbenzene?
The InChIKey is DBSDMAPJGHBWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-3-10(4-2)11-8-6-5-7-9-11/h3-10H,1-2H2.
What are the key properties of penta-1,4-dien-3-ylbenzene?
penta-1,4-dien-3-ylbenzene has a molecular weight of 144.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,4-dien-3-ylbenzene is sourced from PubChem (CID 15879286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).