1.0 2010-04-08 22:13:10 UTC 2015-07-20 23:39:44 UTC FDB017563 7,7-Diethoxy-3-heptene Flavouring ingredient used to impart cream or butter-like flavour 7,7-Diethoxy-3-heptene cis-4-HEPTENAL DIETHYL ACETAL FEMA 3349 C11H22O2 186.2912 186.161979948 (3Z)-7,7-diethoxyhept-3-ene (3Z)-7,7-diethoxyhept-3-ene 18492-65-4 CCOC(CC\C=C/CC)OCC InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7- BOALWZNGHWYCRG-FPLPWBNLSA-N belongs to the class of organic compounds known as acetals. Acetals are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups. Acetals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic acyclic compounds Hydrocarbon derivatives Acetal Aliphatic acyclic compound Hydrocarbon derivative logp 3.52 ALOGPS logs -3.33 ALOGPS solubility 8.78e-02 g/l ALOGPS logp 3.18 ChemAxon pka_strongest_basic -4 ChemAxon iupac (3Z)-7,7-diethoxyhept-3-ene ChemAxon average_mass 186.2912 ChemAxon mono_mass 186.161979948 ChemAxon smiles CCOC(CC\C=C/CC)OCC ChemAxon formula C11H22O2 ChemAxon inchi InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7- ChemAxon inchikey BOALWZNGHWYCRG-FPLPWBNLSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 57.19 ChemAxon polarizability 23.18 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7851 Specdb::MsIr 7852 Specdb::CMs 21245 Specdb::CMs 29203 Specdb::CMs 101947 Specdb::CMs 158002 Specdb::MsMs 107817 Specdb::MsMs 107818 Specdb::MsMs 107819 Specdb::MsMs 174891 Specdb::MsMs 174892 Specdb::MsMs 174893 Specdb::MsMs 3049400 Specdb::MsMs 3049401 Specdb::MsMs 3049402 Specdb::MsMs 3117719 Specdb::MsMs 3117720 Specdb::MsMs 3117721 HMDB38267 #<Reference:0x000055ce33544500> creamy cucumber seed dry fatty fishy green oily salt waxy