1.0 2010-04-08 22:11:32 UTC 2019-11-26 03:10:53 UTC FDB014898 Epoxycampholenic aldehyde Constituent of Juniperus communis (juniper). Epoxycampholenic aldehyde is found in fruits. 1,2,2-Trimethyl-6-oxabicyclo[3.1.0]hexane-3-acetaldehyde, 9CI Epoxycampholenic aldehyde C10H16O2 168.2328 168.115029756 2-{1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl}acetaldehyde 2-{1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl}acetaldehyde 36789-60-3 CC12OC1CC(CC=O)C2(C)C InChI=1S/C10H16O2/c1-9(2)7(4-5-11)6-8-10(9,3)12-8/h5,7-8H,4,6H2,1-3H3 OSNRGQATWCHICL-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 Alpha-hydrogen aldehydes Dialkyl ethers Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aldehyde Aliphatic heteropolycyclic compound Alpha-hydrogen aldehyde Carbonyl group Dialkyl ether Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Oxirane logp 2.39 ALOGPS logs -2.23 ALOGPS solubility 9.96e-01 g/l ALOGPS logp 1.2 ChemAxon pka_strongest_acidic 14.84 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-{1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl}acetaldehyde ChemAxon average_mass 168.2328 ChemAxon mono_mass 168.115029756 ChemAxon smiles CC12OC1CC(CC=O)C2(C)C ChemAxon formula C10H16O2 ChemAxon inchi InChI=1S/C10H16O2/c1-9(2)7(4-5-11)6-8-10(9,3)12-8/h5,7-8H,4,6H2,1-3H3 ChemAxon inchikey OSNRGQATWCHICL-UHFFFAOYSA-N ChemAxon polar_surface_area 29.6 ChemAxon refractivity 45.92 ChemAxon polarizability 18.73 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10228 Specdb::CMs 167859 Specdb::MsMs 47826 Specdb::MsMs 47827 Specdb::MsMs 47828 Specdb::MsMs 165051 Specdb::MsMs 165052 Specdb::MsMs 165053 Specdb::MsMs 2315375 Specdb::MsMs 2315376 Specdb::MsMs 2315377 Specdb::MsMs 2620667 Specdb::MsMs 2620668 Specdb::MsMs 2620669 HMDB36067 #<Reference:0x000055ce322c8e08> Fruits Unknown generic