Basic information
- Standard SMILES
C=CC1CC=CCC1- InChIKey
BBDKZWKEPDTENS-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Overview
4-Vinylcyclohexene can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC). It can cause female reproductive toxicity according to an independent committee of scientific and health experts. It can cause male reproductive toxicity according to California Labor Code.
Names & identifiers
- Preferred name
- 4-Vinyl-1-cyclohexene
- IUPAC
- 4-ethenylcyclohexene
Names & synonyms
4-Vinylcyclohexene4-VINYL-1-CYCLOHEXENE4-EthenylcyclohexeneCyclohexenylethyleneCyclohexene, 4-vinyl-4-Ethenyl-1-cyclohexene1-Vinylcyclohexene-3Ethenyl-1-cyclohexeneNCI-C549991,2,3,4-TetrahydrostyreneDTXSID3021437212JQJ15PS
Show more names
NSC-15760DTXCID601437RefChem:100580202-848-9Butadiene dimer4-vinylcyclohex-1-ene1-Cyclohexene, 4-vinyl-4-ethenylcyclohex-1-ene
Database identifiers
- CAS
100-40-3- PubChem CID
- 7499
- DTXSID
DTXSID3021437- ChEMBL
CHEMBL1330194- ChEBI
CHEBI:82377- UNII
- 212JQJ15PS
- Nikkaji
- J4.005C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-VINYLCYCLOHEXENE has known human metabolites that include 1,2-Epoxy-4-vinylcyclohexane and Epoxy-4-vinylcyclohexene.
Related reactions
16 records
Linked notes
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