8-Pentadecanone
PubChem CID: 13162
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| Compound Synonyms | 8-PENTADECANONE, Pentadecan-8-one, 818-23-5, Caprylone, Diheptyl ketone, Heptyl ketone, 8-Oxopentadecane, Di-n-heptyl ketone, NSC 595, QO7H8D8OSB, EINECS 212-450-7, BRN 1705335, AI3-11051, NSC-595, UNII-QO7H8D8OSB, MFCD00009555, DTXSID40231371, 4-01-00-03392 (Beilstein Handbook Reference), Pentadecane-8-one, Caprylone, Diheptyl ketone, Heptyl ketone, NSC 595, Caprylone_GurudeebanSatyavani, SCHEMBL240165, NSC595, DTXCID40153862, AAA81823, BBL002990, STK379264, AKOS005450458, AS-56779, SY053382, DB-056554, CS-0182624, D1545, NS00042354, EN300-19775, D89880, Z104475298, 212-450-7 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentadecan-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C15H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PQYGSSYFJIJDFK-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -5.216 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.498 |
| Compound Name | 8-Pentadecanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 226.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3451048 |
| Inchi | InChI=1S/C15H30O/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h3-14H2,1-2H3 |
| Smiles | CCCCCCCC(=O)CCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients