
2,2,4-Trimethylpentane
Isooctane is an alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4. It has a role as a non-polar solvent, a nephrotoxic agent and a fuel additive. It is a volatile organic compound and an alkane. — ChEBI
- IUPAC name
- 2,2,4-trimethylpentane
- Molecular formula
- C8H18
- Molecular weight
- 114.23 g/mol
- Exact mass
- 114.140850574 Da
- XLogP3
- 3.8
- Topological polar surface area
- 0.0 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 0
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:62805
- ChEMBL:CHEMBL1797261
- EPA DTXSID:DTXSID7024370
- PubMed:23109876
- PubMed:22989650
- PubMed:22894402
- PubMed:22850081
- PubMed:22845833
- PubMed:22818847
- PubMed:22771061
- PubMed:22727739
- PubMed:22727326
- PubMed:22666059
- PubMed:22593715
- PubMed:22582631
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.