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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:29005 - cyclohexane
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ChEBI Ontology
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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
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Formula
C6H12
Net Charge
0
Average Mass
84.15948
Monoisotopic Mass
84.09390
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
)
cyclohexane (
CHEBI:29005
)
is a
volatile organic compound (
CHEBI:134179
)
Incoming
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
)
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
)
hexacyclonic acid (
CHEBI:167168
)
has parent hydride
cyclohexane (
CHEBI:29005
)
methylcyclohexane (
CHEBI:165745
)
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
Manual Xrefs
Databases
C11249
KEGG COMPOUND
CHX
PDBeChem
CPD-8923
MetaCyc
Cyclohexane
Wikipedia
DB03561
DrugBank
HMDB0029597
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
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11234809
PubMed citation
Europe PMC
24334480
PubMed citation
Europe PMC
Last Modified
03 March 2021
General Comment
2014-02-03
Occasionally found in the urine samples of humans.