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CHEBI:62805 - isooctane
| Formula | C8H18 |
| Net Charge | 0 |
| Average Mass | 114.232 |
| Monoisotopic Mass | 114.14085 |
| SMILES | CC(C)CC(C)(C)C |
| InChI | InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 |
| InChIKey | NHTMVDHEPJAVLT-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
|---|
| Chemical Roles: | fuel additive Any additive that enhances the efficiency of fuel. |
| Biological Role: | nephrotoxic agent A role played by any chemical compound (natural or synthetic) exhibiting itself through the ability to induce damage to the kidneys. |
| Application: |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isooctane (CHEBI:62805) has role fuel additive (CHEBI:62803) |
| isooctane (CHEBI:62805) has role nephrotoxic agent (CHEBI:50909) |
| isooctane (CHEBI:62805) has role non-polar solvent (CHEBI:48355) |
| isooctane (CHEBI:62805) is a alkane (CHEBI:18310) |
| isooctane (CHEBI:62805) is a volatile organic compound (CHEBI:134179) |
| Incoming Relation(s) |
| isooctanediol dibutyrate (CHEBI:88828) has parent hydride isooctane (CHEBI:62805) |
| IUPAC Name |
|---|
| 2,2,4-trimethylpentane |
| Synonyms | Source |
|---|---|
| iso-octane | ChEBI |
| Isobutyltrimethylmethane | ChemIDplus |
| (CH3)2CHCH2C(CH3)3 | NIST Chemistry WebBook |
| Citations |
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