1.0 2010-04-08 22:06:39 UTC 2020-02-24 19:10:47 UTC FDB005379 N-Heptane Heptane is an alkane hydrocarbon with the chemical formula CH3(CH2)8CH3. Heptane has 9 isomers, or 11 if enantiomers are counted. N-Heptane is found in cardamom and ginger. CH3-[CH2]5-CH3 Dipropyl methane Dipropylmethane Heptan Heptane C7H16 100.2019 100.125200512 heptane heptane 142-82-5 CCCCCCC InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 IMNFDUFMRHMDMM-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 a small molecule alkane Liquid logp 4.33 ALOGPS logs -4.05 ALOGPS solubility 8.94e-03 g/l ALOGPS melting_point -90.6 oC logp 3.58 ChemAxon iupac heptane ChemAxon average_mass 100.2019 ChemAxon mono_mass 100.125200512 ChemAxon smiles CCCCCCC ChemAxon formula C7H16 ChemAxon inchi InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 ChemAxon inchikey IMNFDUFMRHMDMM-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 34.01 ChemAxon polarizability 14.34 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 688 Specdb::NmrOneD 2246 Specdb::NmrOneD 2941 Specdb::CMs 9426 Specdb::CMs 27897 Specdb::CMs 29164 Specdb::CMs 29950 Specdb::CMs 100783 Specdb::CMs 100784 Specdb::CMs 100785 Specdb::CMs 150687 Specdb::MsMs 45963 Specdb::MsMs 45964 Specdb::MsMs 45965 Specdb::MsMs 143289 Specdb::MsMs 143290 Specdb::MsMs 143291 Specdb::MsMs 2368590 Specdb::MsMs 2368591 Specdb::MsMs 2368592 Specdb::MsMs 2566337 Specdb::MsMs 2566338 Specdb::MsMs 2566339 HMDB31447 43098 HP6 #<Reference:0x000055ce309e21a0> Cardamom Type 1 specific Elettaria cardamomum 105181 Corn Type 1 specific Zea mays 4577 Ginger Type 1 specific Zingiber officinale 94328 Sweet cherry Type 1 specific Prunus avium 42229 alkane ethereal sweet Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.