| Phytochemical Name : 2-Methylhexanoic acid |
| PCNDIDOT0647 |
| Pubchem CID : 20653 |
| Molecular formula: C7H14O2 |
| Canonical SMILES : CCCCC(C)C(=O)O |
Synonymes : 2-METHYLHEXANOIC ACID|4536-23-6|2-Methylcaproic acid|Hexanoic acid, 2-methyl-|2-Methylhexanoicacid|2-methyl hexanoic acid|2-Hexanecarboxylic acid|Methylhexanoic acid|alpha-Methylcaproic acid|2-methyl-hexanoic acid|FEMA No. 3191|.alpha.-Methylcaproic acid|2-?Methylhexanoic acid|Hexanoic acid, methyl-|EINECS 224-883-9|UNII-LUK37N0QM8|BRN 1721227|LUK37N0QM8|DTXSID9044241|104490-70-2|alpha-methylhexanoic acid|hexane-2-carboxylic acid|alpha -Methylcaproic acid|(-)-2-methylhexanoic acid|SCHEMBL22555|2-Methylhexanoic acid, 99%|CHEMBL1789229|DTXCID7024241|CVKMFSAVYPAZTQ-UHFFFAOYSA-|FEMA 3191|CHEBI:138489|Tox21_302640|LMFA01020080|MFCD00002674|s6079|2-METHYLHEXANOIC ACID [FHFI]|2-Methylhexanoic acid, >=99%, FG|AKOS009158603|EK-0701|SB74015|NCGC00256711-01|LS-75337|CAS-4536-23-6|HY-128371|CS-0099247|FT-0613050|M0947|D91409|EN300-196066|A826786|Q27283189|Z756390480 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.820 |
| Log Po/w (XLOGP3) : 2.340 |
| Log Po/w (WLOGP) : 1.900 |
| Log Po/w (MLOGP) : 1.630 |
| Log Po/w (SILICOS-IT) : 1.180 |
| Consensus Log Po/w : 1.770 |