1.0 2016-09-30 23:05:49 UTC 2020-05-11 19:57:40 UTC BMDB0003667 BMDB03667 Alpha-Pinene-oxide 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.0(2,4)]octane 2-Pinene oxide alpha-Pinene epoxide a-Pinene epoxide Α-pinene epoxide a-Pinene-oxide Α-pinene-oxide alpha-Pinane oxide 2,3-Epoxy-pinane 2,3-Epoxypinane alpha-Pinene 2,3-oxide alpha-Pinene oxide Pinene oxide alpha-Pinene-oxide a-Pinene oxide Α-pinene oxide C10H16O 152.2334 152.120115134 2,7,7-trimethyl-3-oxatricyclo[4.1.1.0²,⁴]octane α-pinene oxide 1686-14-2 CC12OC1CC1CC2C1(C)C InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3 NQFUSWIGRKFAHK-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Bicyclic monoterpenoids Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Oxepanes Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Pinane monoterpenoid Aliphatic heteropolycyclic compounds a small molecule epoxide pinane monoterpenoid Solid logp 2.01 logp 2.77 ALOGPS logs -3.25 ALOGPS logp 1.98 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2,7,7-trimethyl-3-oxatricyclo[4.1.1.0²,⁴]octane ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles CC12OC1CC1CC2C1(C)C ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3 ChemAxon inchikey NQFUSWIGRKFAHK-UHFFFAOYSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 43.41 ChemAxon polarizability 17.88 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 16494 Specdb::CMs 28421 Specdb::CMs 99822 Specdb::CMs 151552 Specdb::MsMs 302443 Specdb::MsMs 302444 Specdb::MsMs 302445 Specdb::MsMs 345175 Specdb::MsMs 345176 Specdb::MsMs 345177 Specdb::MsMs 2688959 Specdb::MsMs 2688960 Specdb::MsMs 2688961 Specdb::MsMs 2993537 Specdb::MsMs 2993538 Specdb::MsMs 2993539 Epidermis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C02759 82629 91508 FDB023213 ALPHA-PINENE-OXIDE 40512 6974 29060 Ding, Zongbiao; Lu, Wencong; Wang, Quanrui; Tao, Fenggang; Hu, Jianliang; Yang, Yuqing. Process for the preparation of a-epoxypinane with Na percarbonate as reagent. Faming Zhuanli Shenqing Gongkai Shuomingshu (2003), 6 pp.