| Phytochemical Name : Neryl butyrate |
| PCNDIDN0053 |
| Pubchem CID : 5352162 |
| Molecular formula: C14H24O2 |
| Canonical SMILES : CCCC(=O)OCC=C(C)CCC=C(C)C |
Synonymes : Neryl butyrate|999-40-6|Neryl butanoate|Nonyl n-butyrate|[(2Z)-3,7-dimethylocta-2,6-dienyl] butanoate|Butanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester|FEMA No. 2774|Fema2774|Neryl butyrate (natural)|Butanoic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester|UNII-83580OVF8U|(Z)-3,7-Dimethyl-2,6-octadienyl butyrate|83580OVF8U|EINECS 213-660-1|3,7-Dimethyl-2,6-octadienyl butanoate, cis-|3,7-Dimethyl-2,6-octadienyl butyrate, (Z)-|3,7-Dimethyl-2,6-octadienyl butanoate, (Z)-|WE(8:2(2Z,6E)(3Me,7Me)/4:0)|Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, Z)-|Butyric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-|BUTANOIC ACID, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (Z)-|nerylbutyrate|starbld0009582|Neryl butyrate, >=90%|NERYL BUTYRATE [FHFI]|SCHEMBL560282|FEMA 2774|Butanoic acid,(2Z)-3,7-dimethyl-2,6-octadien-1-yl ester|DTXSID60883634|CHEBI:171774|LMFA07010626|AKOS015839530|AS-56524|(Z)-3,7-dimethylocta-2,6-dienyl butyrate|cis-3,7-Dimethyl-2,6-octadienyl butanoate|(Z)-3,7-Dimethyl-2,6-octadienyl butanoate|D93201|3,7-Dimethyl-2,6-octadienyl ester(Z)-Butyric acid|3,7-Dimethyl-2,6-octadienyl esterZ)-Butanoic acid|3,7-Dimethyl-2,6-octadienyl ester(Z)-Butanoic acid|Butyric acid (Z)-3,7-dimethyl-2,6-octadienyl ester|Q27269405|CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL BUTANOATE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.790 |
| Log Po/w (XLOGP3) : 4.870 |
| Log Po/w (WLOGP) : 4.020 |
| Log Po/w (MLOGP) : 3.480 |
| Log Po/w (SILICOS-IT) : 3.850 |
| Consensus Log Po/w : 4.000 |