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isooctane

PropertiesImage
MNX_IDMNXM58061 Image of MNXM58061
referencechebi:62805
formulaC8H18
global charge0
mol weight114.232
InChIKeyNHTMVDHEPJAVLT-UHFFFAOYSA-N
InChIInChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
SMILESCC(C)CC(C)(C)C
MNX internals
InChI (mnx)InChI=1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 Image of MNXM58061
SMILES (mnx)[CH3:1][CH:7]([CH3:2])[CH2:6][C:8]([CH3:3])([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62805
chebi:62805
NHTMVDHEPJAVLT-UHFFFAOYSA-N 		isooctane
(CH3)2CHCH2C(CH3)3
2,2,4-trimethylpentane
Isobutyltrimethylmethane
iso-octane
hmdb:HMDB0245342
NHTMVDHEPJAVLT-UHFFFAOYSA-N 		2,2,4-Trimethylpentane
(CH3)2chch2c(CH3)3
2,2,4-trimethylpentane
Iso-octane
Isobutyltrimethylmethane
Isooctane
isooctane

metacyc.compound:CPD-19039
metacycM:CPD-19039
seed.compound:cpd33789
seedM:cpd33789
NHTMVDHEPJAVLT-UHFFFAOYSA-N 		2,2,4-trimethylpentane
isooctane

envipath:...b170dac85722
envipathM:...b170dac85722
NHTMVDHEPJAVLT-UHFFFAOYSA-N 		Isooctane

seedM:M_cpd33789 		secondary/obsolete/fantasy identifier