1.0 2010-04-08 22:04:42 UTC 2025-11-18 22:22:21 UTC FDB000758 Octane Found in hop oil Octane is a hydrocarbon and an alkane with the chemical formula C8H18, and the condensed structural formula CH3(CH2)6CH3. Octane has many structural isomers that differ by the amount and location of branching in the carbon chain. CH3-[CH2]6-CH3 Heptane, methyl- Methylheptane N-octane N-Oktan Oktan C8H18 114.2285 114.140850576 octane octane 111-65-9 CCCCCCCC InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 TVMXDCGIABBOFY-UHFFFAOYSA-N belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Alkanes Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Aliphatic acyclic compounds Acyclic alkane Aliphatic acyclic compound Alkane Hydrocarbons Hydrocarbons a small molecule alkane Liquid logp 4.73 ALOGPS logs -4.53 ALOGPS solubility 3.37e-03 g/l ALOGPS melting_point Fp -56.8° logp 4.02 ChemAxon iupac octane ChemAxon average_mass 114.2285 ChemAxon mono_mass 114.140850576 ChemAxon smiles CCCCCCCC ChemAxon formula C8H18 ChemAxon inchi InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 ChemAxon inchikey TVMXDCGIABBOFY-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 38.61 ChemAxon polarizability 16.42 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1182 Specdb::NmrOneD 1714 Specdb::NmrOneD 2154 Specdb::NmrOneD 2841 Specdb::CMs 18557 Specdb::CMs 27775 Specdb::CMs 27898 Specdb::CMs 28486 Specdb::CMs 29951 Specdb::CMs 99688 Specdb::CMs 99689 Specdb::CMs 99690 Specdb::CMs 99691 Specdb::CMs 150702 Specdb::MsMs 1598 Specdb::MsMs 1599 Specdb::MsMs 1600 Specdb::MsMs 5332 Specdb::MsMs 5333 Specdb::MsMs 5334 Specdb::MsMs 5335 Specdb::MsMs 307147 Specdb::MsMs 307148 Specdb::MsMs 307149 Specdb::MsMs 351016 Specdb::MsMs 351017 Specdb::MsMs 351018 Specdb::MsMs 2262754 Specdb::MsMs 2262755 Specdb::MsMs 2262756 Specdb::MsMs 3080178 Specdb::MsMs 3080179 Specdb::MsMs 3080180 HMDB01485 17590 OCT #<Reference:0x000055ce3249d878> #<Reference:0x000055ce3249d670> #<Reference:0x000055ce3249d4b8> #<Reference:0x000055ce3249d300> #<Reference:0x000055ce3249d148> #<Reference:0x000055ce3249cf90> #<Reference:0x000055ce3249cdd8> #<Reference:0x000055ce3249cbf8> Alcoholic beverages Unknown generic Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Celeriac Type 1 specific Apium graveolens var. rapaceum 278110 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Corn Type 1 specific Zea mays 4577 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Ginger Type 1 specific Zingiber officinale 94328 Green bell pepper Type 1 specific Capsicum annuum 4072 Greylag goose Type 1 specific Anser anser 8843 Guava Type 1 specific Psidium guajava 120290 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Orange bell pepper Type 1 specific Capsicum annuum 4072 Ostrich Type 1 specific Struthio camelus 8801 Pepper Type 1 specific Capsicum annuum 4072 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red bell pepper Type 1 specific Capsicum annuum 4072 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Yellow bell pepper Type 1 specific Capsicum annuum 4072 alkane gasoline