1.0 2010-04-08 22:14:47 UTC 2025-11-19 02:27:59 UTC FDB020082 Nerol oxide Xi-3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2h-pyran is a member of the class of compounds known as pyrans. Pyrans are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds. Xi-3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2h-pyran is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Xi-3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2h-pyran can be found in alcoholic beverages, citrus, and fruits, which makes xi-3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2h-pyran a potential biomarker for the consumption of these food products. 4,8-Epoxy-2,6-dimethyl-2,6-octadiene FEMA 3661 Nerol oxide C10H16O 152.2334 152.120115134 4-methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran 4-methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran 1786-08-9 CC(C)=CC1CC(C)=CCO1 InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3 FRISMOQHTLZZRP-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrans. Pyrans are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds. Pyrans Organic compounds Organoheterocyclic compounds Pyrans Aliphatic heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Pyran logp 3.17 ALOGPS logs -2.04 ALOGPS solubility 1.40e+00 g/l ALOGPS logp 2.43 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 4-methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles CC(C)=CC1CC(C)=CCO1 ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3 ChemAxon inchikey FRISMOQHTLZZRP-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 49.19 ChemAxon polarizability 18.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9510 Specdb::CMs 29072 Specdb::CMs 101968 Specdb::CMs 134769 Specdb::CMs 142503 Specdb::MsIr 7969 Specdb::MsIr 7970 Specdb::MsMs 13103 Specdb::MsMs 13104 Specdb::MsMs 13105 Specdb::MsMs 19775 Specdb::MsMs 19776 Specdb::MsMs 19777 Specdb::MsMs 3036956 Specdb::MsMs 3036957 Specdb::MsMs 3036958 Specdb::MsMs 3106520 Specdb::MsMs 3106521 Specdb::MsMs 3106522 HMDB0038557 Black elderberry Type 1 specific Sambucus nigra 4202 Ginger Type 1 specific Zingiber officinale 94328 White wine Type 2 0.0 0.0 0.0 celery cortex diphenyl oxide flower green herbal narcissus oil weedy