1.0 2016-09-30 22:29:05 UTC 2020-04-22 15:03:06 UTC BMDB0000350 BMDB00350 3-Hydroxysebacic acid 3-Hydroxy-decanedioic acid 3-Hydroxy-sebacic acid 3-Hydroxy-decanedioate 3-Hydroxy-sebacate 3-Hydroxysebacate 3-Hydroxydecanedioate 3-Hydroxydecanedioic acid C10H18O5 218.2469 218.115423686 3-hydroxydecanedioic acid 3-hydroxysebacic acid 68812-93-1 OC(CCCCCCC(O)=O)CC(O)=O InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15) OQYZCCKCJQWHIE-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Medium-chain hydroxy acid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds Dicarboxylic acids Solid logp 0.63 ALOGPS logs -1.81 ALOGPS logp 1.04 ChemAxon pka_strongest_acidic 4.45 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxydecanedioic acid ChemAxon average_mass 218.2469 ChemAxon mono_mass 218.115423686 ChemAxon smiles OC(CCCCCCC(O)=O)CC(O)=O ChemAxon formula C10H18O5 ChemAxon inchi InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15) ChemAxon inchikey OQYZCCKCJQWHIE-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 52.66 ChemAxon polarizability 23.36 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 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::NmrTwoD 1283 Specdb::CMs 15705 Specdb::CMs 37454 Specdb::NmrOneD 1341 Specdb::MsMs 561 Specdb::MsMs 562 Specdb::MsMs 563 Specdb::MsMs 300799 Specdb::MsMs 300800 Specdb::MsMs 300801 Specdb::MsMs 343165 Specdb::MsMs 343166 Specdb::MsMs 343167 FDB021973 2285525 89182 3017884 5339 Hill, Frank Friedrich. Manufacture of 3-hydroxydicarboxylic acids. Ger. Offen. (1986), 14 pp.