pent-4-enylbenzene

C11H14 — CID 517892

IUPACpent-4-enylbenzene
SMILESC=CCCCc1ccccc1
InChIInChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2,4,6-7,9-10H,1,3,5,8H2
InChIKeyRURREWSZSUQSNB-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.20
Rot. Bonds4

About pent-4-enylbenzene

pent-4-enylbenzene (PubChem CID 517892) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is pent-4-enylbenzene.

Molecular Properties

Compound Namepent-4-enylbenzene
PubChem CID517892
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Namepent-4-enylbenzene
SMILESC=CCCCc1ccccc1
InChIInChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2,4,6-7,9-10H,1,3,5,8H2
InChIKeyRURREWSZSUQSNB-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze pent-4-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pent-4-enylbenzene?
The IUPAC name of pent-4-enylbenzene (CID 517892) is pent-4-enylbenzene.
What is the SMILES notation for pent-4-enylbenzene?
The canonical SMILES for pent-4-enylbenzene is C=CCCCc1ccccc1.
What is the InChIKey of pent-4-enylbenzene?
The InChIKey is RURREWSZSUQSNB-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,1,3,5,8H2.
What are the key properties of pent-4-enylbenzene?
pent-4-enylbenzene has a molecular weight of 146.23 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enylbenzene is sourced from PubChem (CID 517892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).