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CHEBI:29005 - cyclohexane

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ChEBI Name cyclohexane
ChEBI ID CHEBI:29005
Definition An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41506, CHEBI:4009, CHEBI:23472
Supplier Information
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Formula C6H12
Net Charge 0
Average Mass 84.15948
Monoisotopic Mass 84.094
InChI InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChIKey XDTMQSROBMDMFD-UHFFFAOYSA-N
SMILES C1CCCCC1
Roles Classification
Chemical Role(s): non-polar solvent

Application(s): non-polar solvent

View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyclohexane (CHEBI:29005) has role non-polar solvent (CHEBI:48355)
cyclohexane (CHEBI:29005) is a cycloalkane (CHEBI:23453)
Incoming 1-ethyl-2-propylcyclohexane (CHEBI:84221) has parent hydride cyclohexane (CHEBI:29005)
trans-4-tert-butylcyclohexanecarboxylic acid (CHEBI:87689) has parent hydride cyclohexane (CHEBI:29005)
chlorocyclohexane (CHEBI:39154) has parent hydride cyclohexane (CHEBI:29005)
IUPAC Name
cyclohexane
Synonyms Sources
Cyclohexan ChemIDplus
Cyclohexane KEGG COMPOUND
CYCLOHEXANE PDBeChem
hexahydrobenzene NIST Chemistry WebBook
hexamethylene NIST Chemistry WebBook
hexanaphthene NIST Chemistry WebBook
Database Links Databases
C11249 KEGG COMPOUND
CHX PDBeChem
CPD-8923 MetaCyc
Cyclohexane Wikipedia
DB03561 DrugBank
HMDB29597 HMDB
View more database links
Registry Numbers Types Sources
110-82-7 CAS Registry Number KEGG COMPOUND
110-82-7 CAS Registry Number ChemIDplus
110-82-7 CAS Registry Number NIST Chemistry WebBook
1662 Gmelin Registry Number Gmelin
1900225 Beilstein Registry Number Beilstein
1900225 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11234809 PubMed citation Europe PMC
24334480 PubMed citation Europe PMC
Last Modified
23 October 2015
General Comment
2014-02-03 Occasionally found in the urine samples of humans.