1.0 2010-04-08 22:11:30 UTC 2015-07-20 23:11:58 UTC FDB014853 6,6-Dimethoxy-2,5,5-trimethyl-2-hexene Fragrance ingredient with a grapefruit-like aroma 1,1-Dimethoxy-2,2,5-trimethylhex-4-ene 2-Hexene, 6,6-dimethoxy-2,5,5-trimethyl- 6,6-Dimethoxy-2,5,5-trimethyl-2-hexene, 9CI 6,6-Dimethoxy-2,5,5-trimethylhex-2-ene Methyl pamplemousse C11H22O2 186.2912 186.161979948 6,6-dimethoxy-2,5,5-trimethylhex-2-ene 6,6-dimethoxy-2,5,5-trimethylhex-2-ene 67674-46-8 COC(OC)C(C)(C)CC=C(C)C InChI=1S/C11H22O2/c1-9(2)7-8-11(3,4)10(12-5)13-6/h7,10H,8H2,1-6H3 RDHNTAXPFZIMDN-UHFFFAOYSA-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 2.99 ALOGPS logs -2.61 ALOGPS solubility 4.62e-01 g/l ALOGPS logp 3.24 ChemAxon pka_strongest_basic -4 ChemAxon iupac 6,6-dimethoxy-2,5,5-trimethylhex-2-ene ChemAxon average_mass 186.2912 ChemAxon mono_mass 186.161979948 ChemAxon smiles COC(OC)C(C)(C)CC=C(C)C ChemAxon formula C11H22O2 ChemAxon inchi InChI=1S/C11H22O2/c1-9(2)7-8-11(3,4)10(12-5)13-6/h7,10H,8H2,1-6H3 ChemAxon inchikey RDHNTAXPFZIMDN-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 56.14 ChemAxon polarizability 22.76 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22048 Specdb::CMs 166067 Specdb::MsIr 7056 Specdb::MsIr 7057 Specdb::MsMs 72165 Specdb::MsMs 72166 Specdb::MsMs 72167 Specdb::MsMs 130995 Specdb::MsMs 130996 Specdb::MsMs 130997 Specdb::MsMs 2795258 Specdb::MsMs 2795259 Specdb::MsMs 2795260 Specdb::MsMs 2886353 Specdb::MsMs 2886354 Specdb::MsMs 2886355 HMDB36034 #<Reference:0x000055ce322197c8> citrus fresh grapefruit peel green soapy violet woody