EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:62805 - isooctane

ChEBI IDCHEBI:62805
ChEBI Nameisooctane
Stars
DefinitionAn alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4.
Last Modified12 September 2024
SubmitterSteve
DownloadsMolfile

FormulaC8H18
Net Charge0
Average Mass114.232
Monoisotopic Mass114.14085
SMILESCC(C)CC(C)(C)C
InChIInChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChIKeyNHTMVDHEPJAVLT-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2,2,4-trimethylpentane
Synonyms  Source
iso-octaneChEBI
IsobutyltrimethylmethaneChemIDplus
(CH3)2CHCH2C(CH3)3NIST Chemistry WebBook
Manual XrefsDatabases
IsooctaneWikipedia
Registry NumbersSources
Reaxys:1696876Reaxys
CAS:540-84-1ChemIDplus
CAS:540-84-1NIST Chemistry WebBook
Citations