| Phytochemical Name : 3-Pentanol |
| PCNDIDOT0803 |
| Pubchem CID : 11428 |
| Molecular formula: C5H12O |
| Canonical SMILES : CCC(CC)O |
Synonymes : 3-PENTANOL|584-02-1|Pentan-3-ol|Diethyl carbinol|Pentanol-3|3-Pentyl alcohol|1-Ethyl-1-propanol|NSC 8654|EINECS 209-526-7|BRN 1730964|UNII-X4ELC182I5|(C2H5)2CHOH|AI3-24335|X4ELC182I5|CHEBI:77519|3-Hydroxypentane|NSC-8654|4-01-00-01662 (Beilstein Handbook Reference)|Diethylcarbinol|3-Pentanol, 98%|3-PENTANOL [MI]|CHEMBL47100|QSPL 143|WLN: QY2&2|DTXSID8060400|NSC8654|Isoamyl alcohol (primary/secondary)|MFCD00004574|AKOS000248912|HY-W087988|SB83759|UN 2706|3-Pentanol, purum, >=98.0% (GC)|Isoamyl alcohol (secondary); (3-Pentanol)|LS-101868|CS-0128838|FT-0616298|P0057|EN300-108903|Q590622 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.880 |
| Log Po/w (XLOGP3) : 1.210 |
| Log Po/w (WLOGP) : 1.170 |
| Log Po/w (MLOGP) : 1.160 |
| Log Po/w (SILICOS-IT) : 0.680 |
| Consensus Log Po/w : 1.220 |