1.0 2016-09-30 22:32:09 UTC 2020-04-22 15:04:00 UTC BMDB0000525 BMDB00525 5-Hydroxyhexanoic acid 5-Hydroxy caproic acid 5-Hydroxy-hexanoic acid 5-Hydroxycaproic acid 5-OH-Caproic acid 5-Hydroxy caproate 5-Hydroxy-hexanoate 5-Hydroxycaproate 5-OH-Caproate 5-Hydroxyhexanoate 5-Hydroxyhexanoic acid C6H12O3 132.1577 132.07864425 5-hydroxyhexanoic acid 5-hydroxyhexanoic acid 44843-89-2 CC(O)CCCC(O)=O InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9) YDCRNMJQROAWFT-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds Hydroxy fatty acids Solid logp 0.32 ALOGPS logs -0.02 ALOGPS logp 0.35 ChemAxon pka_strongest_acidic 4.71 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 5-hydroxyhexanoic acid ChemAxon average_mass 132.1577 ChemAxon mono_mass 132.07864425 ChemAxon smiles CC(O)CCCC(O)=O ChemAxon formula C6H12O3 ChemAxon inchi InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9) ChemAxon inchikey YDCRNMJQROAWFT-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 32.82 ChemAxon polarizability 14.06 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 52494 Specdb::MsMs 52495 Specdb::MsMs 52496 Specdb::MsMs 144030 Specdb::MsMs 144031 Specdb::MsMs 144032 Specdb::MsMs 2776331 Specdb::MsMs 2776332 Specdb::MsMs 2776333 Specdb::MsMs 2901657 Specdb::MsMs 2901658 Specdb::MsMs 2901659 Specdb::CMs 14325 Specdb::CMs 37595 Specdb::CMs 169603 Specdb::CMs 1064910 Specdb::CMs 1064912 Specdb::CMs 1064914 Specdb::CMs 1064916 Specdb::CMs 1064918 Specdb::NmrOneD 7002 Specdb::NmrOneD 7003 Specdb::NmrOneD 7004 Specdb::NmrOneD 7005 Specdb::NmrOneD 7006 Specdb::NmrOneD 7007 Specdb::NmrOneD 7008 Specdb::NmrOneD 7009 Specdb::NmrOneD 7010 Specdb::NmrOneD 7011 Specdb::NmrOneD 7012 Specdb::NmrOneD 7013 Specdb::NmrOneD 7014 Specdb::NmrOneD 7015 Specdb::NmrOneD 7016 Specdb::NmrOneD 7017 Specdb::NmrOneD 7018 Specdb::NmrOneD 7019 Specdb::NmrOneD 7020 Specdb::NmrOneD 7021 FDB022093 149280 170748 131434 C00052163 5510 Valentin, H. E.; Schoenebaum, A.; Steinbuechel, A. Identification of 5-hydroxyhexanoic acid, 4-hydroxyheptanoic acid and 4-hydroxyoctanoic acid as new constituents of bacterial polyhydroxyalkanoic acids. Applied Microbiology and Biotechnology (1996), 46(3), 261-267.