1.0 2010-04-08 22:07:07 UTC 2025-11-18 23:01:43 UTC FDB006371 cis-Pinane Cis-pinane, also known as dihydropinene or pinane, (1r-(1alpha,2beta,5alpha))-isomer, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, cis-pinane is considered to be an isoprenoid lipid molecule. Cis-pinane can be found in pot marjoram, which makes cis-pinane a potential biomarker for the consumption of this food product. (-)-trans-pinane (1alpha,2beta,5alpha)-2,6,6-Trimethylbicyclo(3.1.1)heptane 1a,2b,5a-2,6,6-Trimethylbicyclo(3.1.1)heptane 2,6,6-Trimethylbicyclo(3.1.1)heptane 2,6,6-trimethylbicyclo[3.1.1]heptane Bicyclo(3.1.1)heptane, 2,6,6-trimethyl- Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel- Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, (1S,2S,5S)- Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, cis- Bicyclo[3.1.1]heptane, 2,6,6-trimethyl- Dihydropinene Pinane Pinane (8CI) Pinane, stereoisomer Pinane(endo,exo) C10H18 138.2499 138.140850576 2,6,6-trimethylbicyclo[3.1.1]heptane pinane 473-55-2 CC1CCC2CC1C2(C)C InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3 XOKSLPVRUOBDEW-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 Polycyclic hydrocarbons Saturated hydrocarbons Aliphatic homopolycyclic compound Bicyclic monoterpenoid Hydrocarbon Pinane monoterpenoid Polycyclic hydrocarbon Saturated hydrocarbon Bicyclic monoterpenoids carbobicyclic compound monoterpene terpenoid fundamental parent logp 4.04 ALOGPS logs -4.53 ALOGPS solubility 4.09e-03 g/l ALOGPS logp 3.21 ChemAxon iupac 2,6,6-trimethylbicyclo[3.1.1]heptane ChemAxon average_mass 138.2499 ChemAxon mono_mass 138.140850576 ChemAxon smiles CC1CCC2CC1C2(C)C ChemAxon formula C10H18 ChemAxon inchi InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3 ChemAxon inchikey XOKSLPVRUOBDEW-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 43.87 ChemAxon polarizability 17.83 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 115768 Specdb::CMs 130243 Specdb::MsMs 108075 Specdb::MsMs 108076 Specdb::MsMs 108077 Specdb::MsMs 175212 Specdb::MsMs 175213 Specdb::MsMs 175214 Pot marjoram Type 1 specific Origanum onites 452416 0.0 0.0 0.0 mg/100 g