1.0 2010-04-08 22:11:00 UTC 2019-11-26 03:09:20 UTC FDB013952 Daucol Constituent of carrot (Daucus carota) seed oil. Daucol is found in wild carrot, root vegetables, and carrot. cis-5&beta;,8&beta;-Epoxydaucan-9&alpha;-ol (Daucol) cis-5beta,8beta-Epoxydaucan-9alpha-ol (daucol) Daucol C15H26O2 238.3657 238.193280076 5,8-dimethyl-2-(propan-2-yl)-11-oxatricyclo[6.2.1.0¹,⁵]undecan-7-ol daucol 887-08-1 CC(C)C1CCC2(C)CC(O)C3(C)CCC12O3 InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3 VLIUMVVQGMLOJG-UHFFFAOYSA-N belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Oxanes Organic compounds Organoheterocyclic compounds Oxanes Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxane Secondary alcohol Tetrahydrofuran logp 2.73 ALOGPS logs -3.41 ALOGPS solubility 9.20e-02 g/l ALOGPS melting_point Mp 113-115° logp 2.88 ChemAxon pka_strongest_acidic 13.98 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 5,8-dimethyl-2-(propan-2-yl)-11-oxatricyclo[6.2.1.0¹,⁵]undecan-7-ol ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CC(C)C1CCC2(C)CC(O)C3(C)CCC12O3 ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3 ChemAxon inchikey VLIUMVVQGMLOJG-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 67.89 ChemAxon polarizability 28.05 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23213 Specdb::CMs 44303 Specdb::CMs 174464 Specdb::MsMs 82143 Specdb::MsMs 82144 Specdb::MsMs 82145 Specdb::MsMs 143421 Specdb::MsMs 143422 Specdb::MsMs 143423 Specdb::MsMs 2389100 Specdb::MsMs 2389101 Specdb::MsMs 2389102 Specdb::MsMs 2573204 Specdb::MsMs 2573205 Specdb::MsMs 2573206 HMDB35287 #<Reference:0x000055ce327115a0> Carrot Type 1 specific Daucus carota ssp. sativus 79200 77.25 101.0 53.5 mg/100 g Root vegetables Unknown generic Wild carrot Type 1 specific Daucus carota 4039 77.25 101.0 53.5 mg/100 g