3-ethenylcyclohexene

C8H12 — CID 522623

IUPAC3-ethenylcyclohexene
SMILESC=CC1C=CCCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,4,6,8H,1,3,5,7H2
InChIKeyYYTUUFMWKBIPEY-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.53
Rot. Bonds1

About 3-ethenylcyclohexene

3-ethenylcyclohexene (PubChem CID 522623) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 3-ethenylcyclohexene.

Molecular Properties

Compound Name3-ethenylcyclohexene
PubChem CID522623
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name3-ethenylcyclohexene
SMILESC=CC1C=CCCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,4,6,8H,1,3,5,7H2
InChIKeyYYTUUFMWKBIPEY-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.53
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 3-ethenylcyclohexene?
The IUPAC name of 3-ethenylcyclohexene (CID 522623) is 3-ethenylcyclohexene.
What is the SMILES notation for 3-ethenylcyclohexene?
The canonical SMILES for 3-ethenylcyclohexene is C=CC1C=CCCC1.
What is the InChIKey of 3-ethenylcyclohexene?
The InChIKey is YYTUUFMWKBIPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,4,6,8H,1,3,5,7H2.
What are the key properties of 3-ethenylcyclohexene?
3-ethenylcyclohexene has a molecular weight of 108.18 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylcyclohexene is sourced from PubChem (CID 522623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).