EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131383 - 2,2,4,4,6,8,8-heptamethylnonane

ChEBI IDCHEBI:131383
ChEBI Name2,2,4,4,6,8,8-heptamethylnonane
Stars
DefinitionA branched alkane that is nonane carrying seven methyl substituents at positions 2, 2, 4, 4, 6, 8 and 8.
Last Modified1 March 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H34
Net Charge0
Average Mass226.448
Monoisotopic Mass226.26605
SMILESCC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3
InChIKeyVCLJODPNBNEBKW-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
2,2,4,4,6,8,8-heptamethylnonane (CHEBI:131383) is a alkane (CHEBI:18310)
IUPAC Name 
2,2,4,4,6,8,8-heptamethylnonane
Synonyms  Source
isocetaneChEBI
heptamethylnonaneChEBI
Manual XrefsDatabases
IsocetaneWikipedia
Registry NumbersSources
Reaxys:1840009Reaxys
CAS:4390-04-9ChemIDplus
CAS:4390-04-9NIST Chemistry WebBook