volatile organic compound alkane isooctane (CH3)2CHCH2C(CH3)3 114.141 114.22850 2,2,4-trimethylpentane An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4. Beilstein:1696876 C8H18 CAS:540-84-1 CC(C)CC(C)(C)C CHEBI:62805 InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 Isobutyltrimethylmethane NHTMVDHEPJAVLT-UHFFFAOYSA-N PMID:23234386 Reaxys:1696876 Wikipedia:Isooctane chebi_ontology iso-octane