| Phytochemical Name : 2-Ethylbutyric acid |
| PCNDIDOT0588 |
| Pubchem CID : 6915 |
| Molecular formula: C6H12O2 |
| Canonical SMILES : CCC(CC)C(=O)O |
Synonymes : 2-ETHYLBUTYRIC ACID|2-Ethylbutanoic acid|88-09-5|Diethylacetic acid|Butanoic acid, 2-ethyl-|Acetic acid, diethyl-|3-Pentanecarboxylic acid|2-Ethyl butanoic acid|Butyric acid, 2-ethyl-|diethyl acetic acid|2-Ethyl-butyric acid|alpha-Ethylbutyric acid|alpha-Ethylbuytyric acid|Kyselina diethyloctova|2-ethyl-butanoic acid|FEMA No. 2429|.alpha.-Ethylbutyric acid|NSC 11765|Kyselina diethyloctova [Czech]|2-ethyl butyric acid|2-Ethyl-n-butyric acid|EINECS 201-796-4|UNII-IDY8B990KE|(C2H5)2CHCOOH|BRN 1098634|IDY8B990KE|AI3-04629|DTXSID2041418|NSC-11765|4-02-00-00950 (Beilstein Handbook Reference)|a-Ethylbutyric Acid|WLN: QVY2&2|3-Pentane-Carboxylic Acid|Diathylessigsaure|ethylbutyric acid|diethyl-acetic acid|2-Ethylbutanoicacid|2 - ethylbutyric acid|butanoic acid, 2-ethyl|pentane-3-carboxylic acid|2-Ethylbutyric acid, 8CI|SCHEMBL6114|2-Ethylbutyric acid, 99%|CHEMBL184290|DIETHYLACETIC ACID [MI]|DTXCID0021418|FEMA 2429|NSC8758|CHEBI:173424|2-ETHYLBUTYRIC ACID [FCC]|2-ETHYLBUTYRIC ACID [FHFI]|NSC-8758|NSC11765|STR03488|Tox21_301054|BBL018400|LMFA01020077|MFCD00002670|s6057|STL168031|AKOS000120398|CS-W004154|HY-W004154|CAS-88-09-5|NCGC00248269-01|NCGC00254956-01|2-Ethylbutyric acid, >=98%, FCC, FG|E0070|FT-0624869|EN300-20446|E77046|Q-200275|Q10844268|F2191-0102|Z104478232 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.610 |
| Log Po/w (XLOGP3) : 1.680 |
| Log Po/w (WLOGP) : 1.510 |
| Log Po/w (MLOGP) : 1.270 |
| Log Po/w (SILICOS-IT) : 0.760 |
| Consensus Log Po/w : 1.370 |