| Phytochemical Name : Neral |
| PCNDIDN0049 |
| Pubchem CID : 643779 |
| Molecular formula: C10H16O |
| Canonical SMILES : CC(=CCCC(=CC=O)C)C |
Synonymes : NERAL|cis-Citral|Citral b|106-26-3|(Z)-Citral|beta-Citral|(Z)-3,7-Dimethylocta-2,6-dienal|(2Z)-3,7-dimethylocta-2,6-dienal|(Z)-Neral|Neroli aldehyde|2,6-Octadienal, 3,7-dimethyl-, (Z)-|cis-3,7-Dimethyl-2,6-octadienal|.beta.-Citral|UNII-8M466BQL1X|8M466BQL1X|CITRAL NERAL|2,6-Octadienal, 3,7-dimethyl-, (2Z)-|EINECS 203-379-2|lemonal|citral-b|AI3-28518|CHEBI:29020|EC 203-379-2|(2Z)-3,7-Dimethyl-2,6-octadienal|2,6-Octadienal,3,7-dimethyl-, (2Z)-|Z-Citral|CITRAL NERAL [MI]|SCHEMBL21491|FEMA 2303|DTXSID60881216|cis-3,7-dimethyl-octa-2,6-dienal|LMPR0102010006|5-Pyrimidinecarboxylic acid, 2-propyl-|2,6-Octadienal, 3,7-dimethyl-, (Z)|(2Z)-3,7-dimethyl-2,6-octadien-1-al|2,6-octadienal, 3,7-dimethyl-, (2Z)|C09847|F87693|(Z) - 3,7 - dimethylocta - 2,6 - dienal|Q27104033 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.470 |
| Log Po/w (XLOGP3) : 3.030 |
| Log Po/w (WLOGP) : 2.880 |
| Log Po/w (MLOGP) : 2.490 |
| Log Po/w (SILICOS-IT) : 2.650 |
| Consensus Log Po/w : 2.710 |