4-pent-1-enylcyclohexene

C11H18 — CID 54361712

IUPAC4-pent-1-enylcyclohexene
SMILESCCCC=CC1CC=CCC1
InChIInChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h4-6,8,11H,2-3,7,9-10H2,1H3
InChIKeyOXHHQOAAOQNWAR-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds3

About 4-pent-1-enylcyclohexene

4-pent-1-enylcyclohexene (PubChem CID 54361712) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 4-pent-1-enylcyclohexene.

Molecular Properties

Compound Name4-pent-1-enylcyclohexene
PubChem CID54361712
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name4-pent-1-enylcyclohexene
SMILESCCCC=CC1CC=CCC1
InChIInChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h4-6,8,11H,2-3,7,9-10H2,1H3
InChIKeyOXHHQOAAOQNWAR-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pent-1-enylcyclohexene?
The IUPAC name of 4-pent-1-enylcyclohexene (CID 54361712) is 4-pent-1-enylcyclohexene.
What is the SMILES notation for 4-pent-1-enylcyclohexene?
The canonical SMILES for 4-pent-1-enylcyclohexene is CCCC=CC1CC=CCC1.
What is the InChIKey of 4-pent-1-enylcyclohexene?
The InChIKey is OXHHQOAAOQNWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h4-6,8,11H,2-3,7,9-10H2,1H3.
What are the key properties of 4-pent-1-enylcyclohexene?
4-pent-1-enylcyclohexene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-1-enylcyclohexene is sourced from PubChem (CID 54361712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).