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isooctane
An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4.


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03. Biological Effects of Specific Chemicals: poison [CHEBI:64909] > nephrotoxin [CHEBI:61015] > isooctane [CHEBI:62805]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 poison [CHEBI:64909] (7) 
 nephrotoxin [CHEBI:61015] (5) 
 isooctane [CHEBI:62805] (1)
05. Industrial Uses 
05. Industrial Uses
 solvent [CHEBI:46787] (49) 
 non-polar solvent [CHEBI:48355] (13) 
 isooctane [CHEBI:62805] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 hydrogen molecular entity [CHEBI:33608] (6932) 
 hydrides [CHEBI:33692] (1374) 
 organic hydride [CHEBI:37175] (1178) 
 organic fundamental parent [CHEBI:33245] (1178) 
 hydrocarbon [CHEBI:24632] (505) 
 alkane [CHEBI:18310] (29) 
 isooctane [CHEBI:62805] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 organic fundamental parent [CHEBI:33245] (1178) 
 hydrocarbon [CHEBI:24632] (505) 
 alkane [CHEBI:18310] (29) 
 isooctane [CHEBI:62805] (1)
 aliphatic compound [CHEBI:33653] (90) 
 alkane [CHEBI:18310] (29) 
 isooctane [CHEBI:62805] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydrides [CHEBI:33692] (1374) 
 organic hydride [CHEBI:37175] (1178) 
 organic fundamental parent [CHEBI:33245] (1178) 
 hydrocarbon [CHEBI:24632] (505) 
 alkane [CHEBI:18310] (29) 
 isooctane [CHEBI:62805] (1)
09. Chemical Capabilities 
09. Chemical Capabilities
 fuel additive [CHEBI:62803] (4) 
 isooctane [CHEBI:62805] (1)
ChEBI Compound Accession Identifier  [CHEBI:62805]
ChEBI Compound Description  An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4.
ChEBI Compound Identification Number  62805
ChEBI InChI Value  InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
ChEBI InChIKey Value  NHTMVDHEPJAVLT-UHFFFAOYSA-N
ChEBI Compound Name  isooctane
ChEBI SMILES Value  CC(C)CC(C)(C)C
ChEBI Substance ID  125258740
ChEBI URL  ChEBI:62805
ChemSpider ID  10445
Ontomatica Chemical Accession Key (OnChAKey)  NHTMVDHEPJAVLT_UHFFFAOYSA_N_000_000000
PubChem Compound ID  10907