pent-3-enylbenzene

C11H14 — CID 519421

IUPACpent-3-enylbenzene
SMILESCC=CCCc1ccccc1
InChIInChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2-4,6-7,9-10H,5,8H2,1H3
InChIKeyGLXIHKLBZUKOLW-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.20
Rot. Bonds3

About pent-3-enylbenzene

pent-3-enylbenzene (PubChem CID 519421) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is pent-3-enylbenzene.

Molecular Properties

Compound Namepent-3-enylbenzene
PubChem CID519421
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Namepent-3-enylbenzene
SMILESCC=CCCc1ccccc1
InChIInChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2-4,6-7,9-10H,5,8H2,1H3
InChIKeyGLXIHKLBZUKOLW-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.20
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

[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
hepta-3,5-dienylbenzene
CID 54230830
1-[(Z)-pent-3-enyl]-4-phenoxybenzene
CID 83939005
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-pent-3-enyl-4-propylbenzene
CID 72599491
[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
1-hex-4-enyl-4-phenylbenzene
CID 174423294
[(E)-5-chloropent-3-enyl]benzene
CID 101263863
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394

Frequently Asked Questions

What is the IUPAC name of pent-3-enylbenzene?
The IUPAC name of pent-3-enylbenzene (CID 519421) is pent-3-enylbenzene.
What is the SMILES notation for pent-3-enylbenzene?
The canonical SMILES for pent-3-enylbenzene is CC=CCCc1ccccc1.
What is the InChIKey of pent-3-enylbenzene?
The InChIKey is GLXIHKLBZUKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2-4,6-7,9-10H,5,8H2,1H3.
What are the key properties of pent-3-enylbenzene?
pent-3-enylbenzene has a molecular weight of 146.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-enylbenzene is sourced from PubChem (CID 519421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).