1.0 2010-04-08 22:06:00 UTC 2025-11-18 22:54:18 UTC FDB003902 Alloocimene I Alloocimene i, also known as alloocimene, (e,z)-isomer, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Thus, alloocimene i is considered to be a hydrocarbon lipid molecule. Alloocimene i can be found in wild celery, which makes alloocimene i a potential biomarker for the consumption of this food product. C10H16 136.238 136.125200515 (4E,6E)-2,6-dimethylocta-2,4,6-triene 2,6-dimethyl-octa-2,4,6-triene [H]\C(C=C(C)C)=C(\[H])/C(/C)=C(\[H])C InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+ GQVMHMFBVWSSPF-SOYUKNQTSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Alkatrienes Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Acyclic monoterpenoid Acyclic olefin Aliphatic acyclic compound Alkatriene Branched unsaturated hydrocarbon Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Hydrocarbons logp 4.36 ALOGPS logs -2.45 ALOGPS solubility 4.84e-01 g/l ALOGPS logp 3.42 ChemAxon iupac (4E,6E)-2,6-dimethylocta-2,4,6-triene ChemAxon average_mass 136.238 ChemAxon mono_mass 136.125200515 ChemAxon smiles [H]\C(C=C(C)C)=C(\[H])/C(/C)=C(\[H])C ChemAxon formula C10H16 ChemAxon inchi InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+ ChemAxon inchikey GQVMHMFBVWSSPF-SOYUKNQTSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 50.52 ChemAxon polarizability 18.14 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62712 Specdb::MsMs 62713 Specdb::MsMs 62714 Specdb::MsMs 119499 Specdb::MsMs 119500 Specdb::MsMs 119501 Specdb::MsMs 3599600 Specdb::MsMs 3599601 Specdb::MsMs 3599602 Specdb::MsMs 3599603 Specdb::MsMs 3599604 Specdb::MsMs 3599605 Wild celery Type 1 specific Apium graveolens 4045