EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:132182 - 3,3-dimethylhexane

ChEBI IDCHEBI:132182
ChEBI Name3,3-dimethylhexane
Stars
DefinitionAn alkane that is hexane in which the two methylene hydrogens at position 3 have been replaced by methyl groups.
Last Modified7 December 2016
SubmitterKeeva
DownloadsMolfile
FormulaC8H18
Net Charge0
Average Mass114.232
Monoisotopic Mass114.14085
SMILESCCCC(C)(C)CC
InChIInChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3
InChIKeyKUMXLFIBWFCMOJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas putida DOT-T1E (ncbitaxon:1196325) - MetaboLights (MTBLS319)
ChEBI Ontology
Outgoing Relation(s)
3,3-dimethylhexane (CHEBI:132182) is a alkane (CHEBI:18310)
IUPAC Name 
3,3-dimethylhexane
Manual XrefsDatabases
10759ChemSpider
Registry NumbersSources
Reaxys:1696868Reaxys
CAS:563-16-6ChemIDplus
CAS:563-16-6NIST Chemistry WebBook