1.0 2010-04-08 22:14:42 UTC 2019-11-26 03:18:08 UTC FDB019947 Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one Constituent of dried kukoshi berries (Lycium chinense) and tobacco oil. Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is found in fruits. 1,3,7,7-Tetramethyl-2-oxabicyclo[4.4.0]decan-9-one Hexahydro-2,5,5,8a-tetramethyl-7-chromanone Tetrahydro-3-oxoedulan C13H22O2 210.3126 210.161979948 2,5,5,8a-tetramethyl-octahydro-2H-1-benzopyran-7-one 2,5,5,8a-tetramethyl-hexahydro-1-benzopyran-7-one 5835-18-7 CC1CCC2C(C)(C)CC(=O)CC2(C)O1 InChI=1S/C13H22O2/c1-9-5-6-11-12(2,3)7-10(14)8-13(11,4)15-9/h9,11H,5-8H2,1-4H3 VXIZSNZJQJVFMK-UHFFFAOYSA-N belongs to the class of organic compounds known as benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Benzopyrans Organic compounds Organoheterocyclic compounds Benzopyrans Aliphatic heteropolycyclic compounds Cyclic ketones Dialkyl ethers Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Aliphatic heteropolycyclic compound Benzopyran Carbonyl group Cyclic ketone Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane logp 2.93 ALOGPS logs -3.10 ALOGPS solubility 1.68e-01 g/l ALOGPS logp 2.52 ChemAxon pka_strongest_acidic 18.8 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2,5,5,8a-tetramethyl-octahydro-2H-1-benzopyran-7-one ChemAxon average_mass 210.3126 ChemAxon mono_mass 210.161979948 ChemAxon smiles CC1CCC2C(C)(C)CC(=O)CC2(C)O1 ChemAxon formula C13H22O2 ChemAxon inchi InChI=1S/C13H22O2/c1-9-5-6-11-12(2,3)7-10(14)8-13(11,4)15-9/h9,11H,5-8H2,1-4H3 ChemAxon inchikey VXIZSNZJQJVFMK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 59.94 ChemAxon polarizability 24.45 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19327 Specdb::CMs 174123 Specdb::MsMs 308956 Specdb::MsMs 308957 Specdb::MsMs 308958 Specdb::MsMs 353263 Specdb::MsMs 353264 Specdb::MsMs 353265 Specdb::MsMs 2423542 Specdb::MsMs 2423543 Specdb::MsMs 2423544 Specdb::MsMs 2515234 Specdb::MsMs 2515235 Specdb::MsMs 2515236 HMDB40232 #<Reference:0x000055ce330db7c0> Fruits Unknown generic