4-ethenylcyclohexene

C8H12 — CID 7499

IUPAC4-ethenylcyclohexene
SMILESC=CC1CC=CCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
InChIKeyBBDKZWKEPDTENS-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.53
Rot. Bonds1

About 4-ethenylcyclohexene

4-ethenylcyclohexene (PubChem CID 7499) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 4-ethenylcyclohexene.

Molecular Properties

Compound Name4-ethenylcyclohexene
PubChem CID7499
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name4-ethenylcyclohexene
SMILESC=CC1CC=CCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
InChIKeyBBDKZWKEPDTENS-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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Related Compounds

3a,4,7,7a-Tetrahydroindene
CID 62475
5-Methylenenorbornene
CID 260380
4-Methylcyclohexene
CID 11572
3,5,5-Trimethylcyclohexene
CID 79132
4-Tert-butylcyclohex-1-ene
CID 16688
3-Methylcyclohexene
CID 11573
trans-Isolimonene
CID 22831540
(3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene
CID 78790
Bicyclo[2.2.1]hept-2-ene, polymer with ethene
CID 168460
3-Propyl-1-cyclopentene
CID 36671
3-Ethylcyclopentene
CID 79095
1H-Indene, 3a,4,7,7a-tetrahydro-4-methyl-
CID 110989

Frequently Asked Questions

What is the IUPAC name of 4-ethenylcyclohexene?
The IUPAC name of 4-ethenylcyclohexene (CID 7499) is 4-ethenylcyclohexene.
What is the SMILES notation for 4-ethenylcyclohexene?
The canonical SMILES for 4-ethenylcyclohexene is C=CC1CC=CCC1.
What is the InChIKey of 4-ethenylcyclohexene?
The InChIKey is BBDKZWKEPDTENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2.
What are the key properties of 4-ethenylcyclohexene?
4-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 4-ethenylcyclohexene is sourced from PubChem (CID 7499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).