| Phytochemical Name : Linalyl isobutyrate |
| PCNDIDL0068 |
| Pubchem CID : 6532 |
| Molecular formula: C14H24O2 |
| Canonical SMILES : CC(C)C(=O)OC(C)(CCC=C(C)C)C=C |
Synonymes : Linalyl isobutyrate|78-35-3|Linalool isobutyrate|Linalyl 2-methylpropanoate|Linalool, isobutyrate|3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate|Isobutyric acid, linalyl ester|1,5-Dimethyl-1-vinyl-4-hexenyl isobutyrate|FEMA No. 2640|1,6-Octadien-3-ol, 3,7-dimethyl-, isobutyrate|3,7-Dimethyl-1,6-octadienyl isobutyrate|3,7-Dimethyl-1,6-octadien-3-yl isobutyrate|NSC 46145|ISOBUTYRIC ACID, 1,5-DIMETHYL-1-VINYL-4-HEXENYL ESTER|1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate|3,7-Dimethyl-1,6-octadien-3-ol isobutyrate|3,7-Dimethyl-1,6-octadien-3-yl isobutanoate|EINECS 201-108-2|EINECS 305-132-5|Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester|3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate|BRN 1726378|1-Ethenyl-1,5-dimethyl-4-hexenyl 2-methylpropanoate|AI3-24264|DTXSID6047490|UNII-8867Y4G46L|(1)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate|NSC-46145|8867Y4G46L|Isobutyric acid, linalyl ester (6CI)|Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester|4-02-00-00849 (Beilstein Handbook Reference)|1,5-Dimethyl-1-vinyl-4-hexenyl 2-methylpropanoate|Linalylisobutyrate|linalylisobutyrat|Linalol isobutyrate|Linalyl iso-Butyrate|3,6-octadienyl isobutyrate|SCHEMBL560781|3,6-octadien-3-yl isobutyrate|CHEMBL3185164|DTXCID4027490|FEMA 2640|1, 3,7-dimethyl-, isobutyrate|LINALYL ISOBUTYRATE [FCC]|CHEBI:171776|LINALYL ISOBUTYRATE [FHFI]|NSC46145|Tox21_302721|AKOS015837556|LS-2887|CAS-78-35-3|NCGC00256753-01|AS-77518|1,5-dimethyl-1-vinylhex-4-enylisobutyrat|3,7-Dimethyl-1, 6-octadienyl isobutyrate|WLN: 1Y1&VOX1&1U1&3UY1&1|FT-0631344|3,7-Dimethylocta-1,6-dien-3-yl isobutyrate|3, 7-Dimethyl-1,6-octadien-3-yl isobutyrate|D93228|Isobutyric acid,5-dimethyl-1-vinyl-4-hexenyl ester|Q27269894|Propanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester|1,5 - dimethyl - 1 - vinylhex - 4 - enyl isobutyrate|Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenylester |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.510 |
| Log Po/w (XLOGP3) : 4.970 |
| Log Po/w (WLOGP) : 3.880 |
| Log Po/w (MLOGP) : 3.480 |
| Log Po/w (SILICOS-IT) : 3.680 |
| Consensus Log Po/w : 3.900 |

