1.0 2010-04-08 22:14:52 UTC 2019-11-26 03:18:37 UTC FDB020214 1,5-Dibutyl methyl hydroxycitrate Constituent of the fruit of Garcinia atroviridis (gelugor). 1,5-Dibutyl methyl hydroxycitrate is found in fruits. 1,5-Dibutyl methyl hydroxycitrate C15H26O8 334.3621 334.162767808 1,3-dibutyl 2-methyl 1,2-dihydroxypropane-1,2,3-tricarboxylate 1,3-dibutyl 2-methyl 1,2-dihydroxypropane-1,2,3-tricarboxylate CCCCOC(=O)CC(O)(C(O)C(=O)OCCCC)C(=O)OC InChI=1S/C15H26O8/c1-4-6-8-22-11(16)10-15(20,14(19)21-3)12(17)13(18)23-9-7-5-2/h12,17,20H,4-10H2,1-3H3 JRMBFEKUMNWOIE-UHFFFAOYSA-N belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Tricarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Aliphatic acyclic compounds 1,2-diols Beta hydroxy acids and derivatives Carbonyl compounds Fatty acid esters Hydrocarbon derivatives Methyl esters Monosaccharides Organic oxides Secondary alcohols Tertiary alcohols 1,2-diol Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxy acid Methyl ester Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol Tricarboxylic acid or derivatives logp 1.48 ALOGPS logs -1.83 ALOGPS solubility 4.91e+00 g/l ALOGPS logp 1.05 ChemAxon pka_strongest_acidic 10.78 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1,3-dibutyl 2-methyl 1,2-dihydroxypropane-1,2,3-tricarboxylate ChemAxon average_mass 334.3621 ChemAxon mono_mass 334.162767808 ChemAxon smiles CCCCOC(=O)CC(O)(C(O)C(=O)OCCCC)C(=O)OC ChemAxon formula C15H26O8 ChemAxon inchi InChI=1S/C15H26O8/c1-4-6-8-22-11(16)10-15(20,14(19)21-3)12(17)13(18)23-9-7-5-2/h12,17,20H,4-10H2,1-3H3 ChemAxon inchikey JRMBFEKUMNWOIE-UHFFFAOYSA-N ChemAxon polar_surface_area 119.36 ChemAxon refractivity 79.02 ChemAxon polarizability 34.91 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11625 Specdb::CMs 46780 Specdb::CMs 147960 Specdb::MsMs 291661 Specdb::MsMs 291662 Specdb::MsMs 291663 Specdb::MsMs 331633 Specdb::MsMs 331634 Specdb::MsMs 331635 Specdb::MsMs 2824408 Specdb::MsMs 2824409 Specdb::MsMs 2824410 Specdb::MsMs 2855116 Specdb::MsMs 2855117 Specdb::MsMs 2855118 Specdb::NmrOneD 40482 Specdb::NmrOneD 40483 Specdb::NmrOneD 40484 Specdb::NmrOneD 40485 Specdb::NmrOneD 40486 Specdb::NmrOneD 40487 Specdb::NmrOneD 40488 Specdb::NmrOneD 40489 Specdb::NmrOneD 40490 Specdb::NmrOneD 40491 Specdb::NmrOneD 40492 Specdb::NmrOneD 40493 Specdb::NmrOneD 40494 Specdb::NmrOneD 40495 Specdb::NmrOneD 40496 Specdb::NmrOneD 40497 Specdb::NmrOneD 40498 Specdb::NmrOneD 40499 Specdb::NmrOneD 40500 Specdb::NmrOneD 40501 HMDB40461 #<Reference:0x000055ce31c3f5f0> Fruits Unknown generic