1.0 2010-04-08 22:12:37 UTC 2019-11-26 03:13:43 UTC FDB016750 xi-1-Ethoxy-1-pentyloxyethane Detected in strawberry volatiles. xi-1-Ethoxy-1-pentyloxyethane is found in fruits. C9H20O2 160.2539 160.146329884 1-ethoxy-1-(pentyloxy)ethane 1-ethoxy-1-(pentyloxy)ethane 13442-89-2 CCCCCOC(C)OCC InChI=1S/C9H20O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-8H2,1-3H3 QMLYOIJQQWWNKE-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 diether logp 2.53 ALOGPS logs -2.36 ALOGPS solubility 7.06e-01 g/l ALOGPS logp 2.54 ChemAxon pka_strongest_basic -4 ChemAxon iupac 1-ethoxy-1-(pentyloxy)ethane ChemAxon average_mass 160.2539 ChemAxon mono_mass 160.146329884 ChemAxon smiles CCCCCOC(C)OCC ChemAxon formula C9H20O2 ChemAxon inchi InChI=1S/C9H20O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-8H2,1-3H3 ChemAxon inchikey QMLYOIJQQWWNKE-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 46.93 ChemAxon polarizability 20.24 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7579 Specdb::NmrOneD 331702 Specdb::NmrOneD 331703 Specdb::NmrOneD 331704 Specdb::NmrOneD 331705 Specdb::NmrOneD 331706 Specdb::NmrOneD 331707 Specdb::NmrOneD 331708 Specdb::NmrOneD 331709 Specdb::NmrOneD 331710 Specdb::NmrOneD 331711 Specdb::NmrOneD 331712 Specdb::NmrOneD 331713 Specdb::NmrOneD 331714 Specdb::NmrOneD 331715 Specdb::NmrOneD 331716 Specdb::NmrOneD 331717 Specdb::NmrOneD 331718 Specdb::NmrOneD 331719 Specdb::NmrOneD 331720 Specdb::NmrOneD 331721 Specdb::CMs 2571 Specdb::CMs 162305 Specdb::MsMs 8954 Specdb::MsMs 8955 Specdb::MsMs 8956 Specdb::MsMs 15626 Specdb::MsMs 15627 Specdb::MsMs 15628 Specdb::MsMs 2300607 Specdb::MsMs 2300608 Specdb::MsMs 2300609 Specdb::MsMs 3064418 Specdb::MsMs 3064419 Specdb::MsMs 3064420 HMDB37634 #<Reference:0x000055ce334e55a0> Fruits Unknown generic