CHEBI:29005 - cyclohexane

ChEBI IDCHEBI:29005
ChEBI Namecyclohexane
Stars
DefinitionAn alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon.
Secondary ChEBI IDsCHEBI:4009, CHEBI:23472, CHEBI:41506
Last Modified14 April 2025
DownloadsMolfile
FormulaC6H12
Net Charge0
Average Mass84.162
Monoisotopic Mass84.09390
SMILESC1CCCCC1
InChIInChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChIKeyXDTMQSROBMDMFD-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
cyclohexane (CHEBI:29005) has role non-polar solvent (CHEBI:48355)
cyclohexane (CHEBI:29005) is a cycloalkane (CHEBI:23453)
cyclohexane (CHEBI:29005) is a volatile organic compound (CHEBI:134179)
Incoming Relation(s)
trans-4-tert-butylcyclohexanecarboxylic acid (CHEBI:87689) has parent hydride cyclohexane (CHEBI:29005)
1-ethyl-2-propylcyclohexane (CHEBI:84221) has parent hydride cyclohexane (CHEBI:29005)
1,2,3,4,5,6-hexabromocyclohexane (CHEBI:93940) has parent hydride cyclohexane (CHEBI:29005)
1,4-dimethylcyclohexane (CHEBI:165732) has parent hydride cyclohexane (CHEBI:29005)
butylcyclohexane (CHEBI:233996) has parent hydride cyclohexane (CHEBI:29005)
chlorocyclohexane (CHEBI:39154) has parent hydride cyclohexane (CHEBI:29005)
hexacyclonic acid (CHEBI:167168) has parent hydride cyclohexane (CHEBI:29005)
methylcyclohexane (CHEBI:165745) has parent hydride cyclohexane (CHEBI:29005)
IUPAC Name 
cyclohexane
Synonyms  Source
CyclohexaneKEGG COMPOUND
CYCLOHEXANEPDBeChem
hexahydrobenzeneNIST Chemistry WebBook
hexamethyleneNIST Chemistry WebBook
hexanaphtheneNIST Chemistry WebBook
CyclohexanChemIDplus
Manual XrefsDatabases
C11249KEGG COMPOUND
CHXPDBeChem
DB03561DrugBank
CPD-8923MetaCyc
HMDB0029597HMDB
CyclohexaneWikipedia
Registry NumbersSources
Gmelin:1662Gmelin
Reaxys:1900225Reaxys
CAS:110-82-7KEGG COMPOUND
CAS:110-82-7ChemIDplus
CAS:110-82-7NIST Chemistry WebBook
Citations