Octane


Octane
DEDuCT identifierDED000004
Pubchem identifier356
CAS identifier111-65-9
IUPAC nameOctane
Category based on type of supporting evidenceCategory III
Broad category based on environmental sourceIndustry, Consumer Products, Intermediates
Sub-category based on environmental sourceAnalytical Chemicals in Industry and Research, Automotive, Construction, Food additives, Fuel, Household Supplies, Human Metabolite, Lubricants, Minerals, Metals and Heavy Metal, Paints, Personal and Healthcare Products, Solvent, Stationery
Chemical kingdomOrganic compounds
Chemical super-classHydrocarbons
Chemical classSaturated hydrocarbons
SMILESCCCCCCCC
InChIInChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKeyTVMXDCGIABBOFY-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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