1.0 2010-04-08 22:06:25 UTC 2019-11-26 03:00:16 UTC FDB004843 Pinene Pinene (is a bicyclic monoterpene chemical compound. There are two structural isomers of pinene found in nature: alpha-pinene and beta-pinene. As the name suggests, both forms are important constituents of pine resin; they are also found in the resins of many other conifers, as well as in non-coniferous plants. Both isomers are used by many insects in their chemical communication system. PINENE C10H16 136.238 136.125200515 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene α pinene 80-56-8 CC1=CCC2CC1C2(C)C InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 GRWFGVWFFZKLTI-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Bicyclic monoterpenoid Branched unsaturated hydrocarbon Cyclic olefin Hydrocarbon Olefin Pinane monoterpenoid Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Bicyclic monoterpenoids Cyclic monoterpenes an α-pinene pinene logp 3.66 ALOGPS logs -2.94 ALOGPS solubility 1.58e-01 g/l ALOGPS logp 2.8 ChemAxon iupac 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene ChemAxon average_mass 136.238 ChemAxon mono_mass 136.125200515 ChemAxon smiles CC1=CCC2CC1C2(C)C ChemAxon formula C10H16 ChemAxon inchi InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 ChemAxon inchikey GRWFGVWFFZKLTI-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 44.72 ChemAxon polarizability 17.22 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1905 Specdb::CMs 5835 Specdb::CMs 26802 Specdb::CMs 28652 Specdb::CMs 99931 Specdb::CMs 99932 Specdb::CMs 102699 Specdb::CMs 102700 Specdb::CMs 103745 Specdb::MsMs 169227 Specdb::MsMs 169228 Specdb::MsMs 169229 Specdb::MsMs 3601052 Specdb::MsMs 3601053 Specdb::MsMs 3601054 Specdb::MsMs 50067 Specdb::MsMs 50068 Specdb::MsMs 50069 Specdb::MsMs 3601892 Specdb::MsMs 3601893 Specdb::MsMs 3601894 17187 Avocado Type 1 specific Persea americana 3435 Common sage Type 1 specific Salvia officinalis 38868 138.6 138.6 138.6 mg/100 g Fennel Type 1 specific Foeniculum vulgare 48038 Fruit juice Type 2 specific Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 Nutmeg Type 1 specific Myristica fragrans 51089 Pepper Type 1 specific Capsicum annuum 4072 Peppermint Type 1 specific Mentha X piperita 34256 1.25 1.25 1.25 mg/100 g Roman camomile Type 1 specific Chamaemelum nobile 99037 Rosemary Type 1 specific Rosmarinus officinalis 39367 Saffron Type 1 specific Crocus sativus 82528 Spearmint Type 1 specific Mentha spicata 29719 Sweet bay Type 1 specific Laurus nobilis 85223 Watermelon Type 1 specific Citrullus lanatus 3654 pine turpentine allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. anti bacterial 145 A substance that kills or slows the growth of bacteria. anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. anti spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. convulsant 832 enterocontractant 906 expectorant 925 Any substance introduced into a living organism with therapeutic or diagnostic purpose. fungicide 940 A substance used to destroy fungal pests. herbicide 986 A substance used to destroy plant pests. perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. spasmogenic 1320