1.0 2010-04-08 22:13:01 UTC 2025-11-19 01:53:27 UTC FDB017332 cis-Quinceoxepane Constituent of quince fruit. cis-Quinceoxepane is found in fruits. 4-Methyl-2-(3-methyl-1,3-butadienyl)oxepane, 9CI cis-Quinceoxepane C12H20O 180.2866 180.151415262 4-methyl-2-[(1Z)-3-methylbuta-1,3-dien-1-yl]oxepane 4-methyl-2-[(1Z)-3-methylbuta-1,3-dien-1-yl]oxepane 133005-51-3 CC1CCCOC(C1)\C=C/C(C)=C InChI=1S/C12H20O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h6-7,11-12H,1,4-5,8-9H2,2-3H3/b7-6- RLBHQLPVVYXAQJ-SREVYHEPSA-N belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. Oxepanes Organic compounds Organoheterocyclic compounds Oxepanes Aliphatic heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxepane logp 4.09 ALOGPS logs -3.86 ALOGPS solubility 2.50e-02 g/l ALOGPS logp 3.27 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 4-methyl-2-[(1Z)-3-methylbuta-1,3-dien-1-yl]oxepane ChemAxon average_mass 180.2866 ChemAxon mono_mass 180.151415262 ChemAxon smiles CC1CCCOC(C1)\C=C/C(C)=C ChemAxon formula C12H20O ChemAxon inchi InChI=1S/C12H20O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h6-7,11-12H,1,4-5,8-9H2,2-3H3/b7-6- ChemAxon inchikey RLBHQLPVVYXAQJ-SREVYHEPSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 57.74 ChemAxon polarizability 22.12 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26615 Specdb::CMs 174558 Specdb::MsMs 100707 Specdb::MsMs 100708 Specdb::MsMs 100709 Specdb::MsMs 166134 Specdb::MsMs 166135 Specdb::MsMs 166136 Specdb::MsMs 2382833 Specdb::MsMs 2382834 Specdb::MsMs 2382835 Specdb::MsMs 2580261 Specdb::MsMs 2580262 Specdb::MsMs 2580263 HMDB0038108 Fruits Unknown generic