CHEBI:77516 - 6-phenyldodecane

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 6-phenyldodecane ChEBI ID CHEBI:77516 Definition An alkylbenzene comprising dodecane substituted at position 6 by a phenyl group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Jen Hammock Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H30 Net Charge 0 Average Mass 246.43080 Monoisotopic Mass 246.23475 InChI InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3 InChIKey ZYHJQFMTTFCBKH-UHFFFAOYSA-N SMILES CCCCCCC(CCCCC)c1ccccc1 ChEBI Ontology Outgoing 6-phenyldodecane (CHEBI:77516) is a alkylbenzene (CHEBI:38976) IUPAC Name dodecan-6-ylbenzene Synonyms Sources (1-pentylheptyl)benzene ChEBI α-pentylheptylbenzene ChEBI Registry Numbers Types Sources 2254522 Reaxys Registry Number Reaxys 2719-62-2 CAS Registry Number ChemIDplus 2719-62-2 CAS Registry Number NIST Chemistry WebBook Citation Type Source 11393986 PubMed citation Europe PMC Last Modified 12 March 2014