1.0 2010-04-08 22:06:00 UTC 2025-11-18 22:54:22 UTC FDB003922 cis-p-Mentha-1(7),8-dien-2-yl acetate Menthadienyl acetate is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthadienyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Within the cell, menthadienyl acetate is primarily located in the membrane (predicted from logP). C12H18O2 194.2701 194.13067982 2-methylidene-5-(prop-1-en-2-yl)cyclohexyl acetate 2-methylidene-5-(prop-1-en-2-yl)cyclohexyl acetate CC(=C)C1CCC(=C)C(C1)OC(C)=O InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3 CCLNPVCMIJDJLR-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 3.36 ALOGPS logs -2.84 ALOGPS solubility 2.82e-01 g/l ALOGPS logp 2.49 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methylidene-5-(prop-1-en-2-yl)cyclohexyl acetate ChemAxon average_mass 194.2701 ChemAxon mono_mass 194.13067982 ChemAxon smiles CC(=C)C1CCC(=C)C(C1)OC(C)=O ChemAxon formula C12H18O2 ChemAxon inchi InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3 ChemAxon inchikey CCLNPVCMIJDJLR-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.07 ChemAxon polarizability 22.19 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16210 Specdb::CMs 154618 Specdb::MsMs 80760 Specdb::MsMs 80761 Specdb::MsMs 80762 Specdb::MsMs 141714 Specdb::MsMs 141715 Specdb::MsMs 141716 Specdb::MsMs 2687573 Specdb::MsMs 2687574 Specdb::MsMs 2687575 Specdb::MsMs 2993951 Specdb::MsMs 2993952 Specdb::MsMs 2993953 HMDB0038292 Wild celery Type 1 specific Apium graveolens 4045