1.0 2010-04-08 22:12:37 UTC 2019-11-26 03:13:43 UTC FDB016752 xi-1-Butoxy-1-methoxyethane Detected in strawberry volatiles by gc-ms. xi-1-Butoxy-1-methoxyethane is found in fruits. C7H16O2 132.2007 132.115029756 1-butoxy-1-methoxyethane 1-butoxy-1-methoxyethane CCCCOC(C)OC InChI=1S/C7H16O2/c1-4-5-6-9-7(2)8-3/h7H,4-6H2,1-3H3 DGUULUIJEFJCKG-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 1.53 ALOGPS logs -1.37 ALOGPS solubility 5.59e+00 g/l ALOGPS logp 1.74 ChemAxon pka_strongest_basic -4 ChemAxon iupac 1-butoxy-1-methoxyethane ChemAxon average_mass 132.2007 ChemAxon mono_mass 132.115029756 ChemAxon smiles CCCCOC(C)OC ChemAxon formula C7H16O2 ChemAxon inchi InChI=1S/C7H16O2/c1-4-5-6-9-7(2)8-3/h7H,4-6H2,1-3H3 ChemAxon inchikey DGUULUIJEFJCKG-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 37.58 ChemAxon polarizability 16.11 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10329 Specdb::CMs 150049 Specdb::MsIr 7581 Specdb::NmrOneD 22522 Specdb::NmrOneD 22523 Specdb::NmrOneD 22524 Specdb::NmrOneD 22525 Specdb::NmrOneD 22526 Specdb::NmrOneD 22527 Specdb::NmrOneD 22528 Specdb::NmrOneD 22529 Specdb::NmrOneD 22530 Specdb::NmrOneD 22531 Specdb::NmrOneD 22532 Specdb::NmrOneD 22533 Specdb::NmrOneD 22534 Specdb::NmrOneD 22535 Specdb::NmrOneD 22536 Specdb::NmrOneD 22537 Specdb::NmrOneD 22538 Specdb::NmrOneD 22539 Specdb::NmrOneD 22540 Specdb::NmrOneD 22541 Specdb::MsMs 93156 Specdb::MsMs 93157 Specdb::MsMs 93158 Specdb::MsMs 156885 Specdb::MsMs 156886 Specdb::MsMs 156887 Specdb::MsMs 2474234 Specdb::MsMs 2474235 Specdb::MsMs 2474236 Specdb::MsMs 2491658 Specdb::MsMs 2491659 Specdb::MsMs 2491660 HMDB37636 #<Reference:0x00007f093c028ae0> Fruits Unknown generic