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CHEBI:87601 - 3-phenyldecane

ChEBI IDCHEBI:87601
ChEBI Name3-phenyldecane
Stars
DefinitionA member of the class of benzenes that is benzene substituted by a decan-3-yl group.
Last Modified20 August 2015
Submitternamrata
DownloadsMolfile
FormulaC16H26
Net Charge0
Average Mass218.384
Monoisotopic Mass218.20345
SMILESCCCCCCCC(CC)c1ccccc1
InChIInChI=1S/C16H26/c1-3-5-6-7-9-12-15(4-2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3
InChIKeyPYVIFMPVFLOTLN-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-phenyldecane (CHEBI:87601) has role metabolite (CHEBI:25212)
3-phenyldecane (CHEBI:87601) is a benzenes (CHEBI:22712)
IUPAC Name 
(decan-3-yl)benzene
Synonym  Source
(1-ethyloctyl)benzeneChemIDplus
Registry NumbersSources
Reaxys:2517940Reaxys
CAS:4621-36-7ChemIDplus
CAS:4621-36-7NIST Chemistry WebBook