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isooctane

PropertiesImageOccurences in reactions
MNX_IDMNXM58061Image of MNXM58061
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC8H18
charge0
mass114.14085
referencechebi:62805
InChIKeyNHTMVDHEPJAVLT-UHFFFAOYSA-N
InChIInChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
SMILESCC(C)CC(C)(C)C
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:62805
chebi:62805 		isooctane
(CH3)2CHCH2C(CH3)3
2,2,4-trimethylpentane
Isobutyltrimethylmethane
iso-octane
metacyc.compound:CPD-19039
metacycM:CPD-19039
seed.compound:cpd33789
seedM:cpd33789 		2,2,4-trimethylpentane
isooctane
envipath:...b170dac85722
envipathM:...b170dac85722 		Isooctane
seedM:M_cpd33789 secondary/obsolete/fantasy identifier