| Phytochemical Name : 4-Heptanone |
| PCNDIDOT0849 |
| Pubchem CID : 31246 |
| Molecular formula: C7H14O |
| Canonical SMILES : CCCC(=O)CCC |
Synonymes : 4-Heptanone|Heptan-4-one|123-19-3|Dipropyl ketone|Butyrone|Propyl ketone|Di-n-propyl ketone|4-Oxoheptane|FEMA No. 2546|4-Heptanone (natural)|NSC 8692|EINECS 204-608-9|UN2710|BRN 1699049|UNII-9BN582JQ61|AI3-15181|HSDB 7908|9BN582JQ61|NSC-8692|4-01-00-03323 (Beilstein Handbook Reference)|dipropylketon|dipropylketone|Dipropylctone|4-Heptanona|heptane-4-one|MFCD00009403|heptan - 4 - one|4-Heptanone, 98%|4-Heptanon (Dipropylketon)|Dipropylketon (4-Heptanon)|4-HEPTANONE [FHFI]|SCHEMBL25174|DIPROPYL KETONE [MI]|(n-C3H7)2CO|SCHEMBL8508397|SCHEMBL9188666|WLN: 3V3|4-Heptanone, >=97%, FG|DTXSID6047650|4-Heptanone, analytical standard|CHEBI:89484|Dipropyl ketone; (4-Heptanone)|AMY3807|NSC8692|BBL009715|LMFA12000118|NA2710|STL141080|AKOS000118993|LS-2786|UN 2710|BP-12815|VS-02154|FT-0618576|H0039|EN300-19142|Dipropyl ketone [UN2710] [Flammable liquid]|Dipropyl ketone [UN2710] [Flammable liquid]|A805025|J-004897|J-515446|Q1287920 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.200 |
| Log Po/w (XLOGP3) : 2.380 |
| Log Po/w (WLOGP) : 2.160 |
| Log Po/w (MLOGP) : 1.740 |
| Log Po/w (SILICOS-IT) : 1.860 |
| Consensus Log Po/w : 2.070 |