Valeric acid, 2-propyl-, dodecyl ester
PubChem CID: 211194
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| Compound Synonyms | Dodecyl 2-propylvalerate, Valeric acid, 2-propyl-, dodecyl ester, 2-Propylvaleric acid dodecyl ester, 22632-60-6, Pentanoic acid, 2-propyl-, dodecyl ester, DTXSID70177172, SCHEMBL7217217, DTXCID4099663 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodecyl 2-propylpentanoate |
| Prediction Hob | 0.0 |
| Xlogp | 8.5 |
| Molecular Formula | C20H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FNUPZOKINFXARH-UHFFFAOYSA-N |
| Fcsp3 | 0.95 |
| Logs | -7.049 |
| Rotatable Bond Count | 17.0 |
| Logd | 5.013 |
| Compound Name | Valeric acid, 2-propyl-, dodecyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 312.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0359356 |
| Inchi | InChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-18-22-20(21)19(16-5-2)17-6-3/h19H,4-18H2,1-3H3 |
| Smiles | CCCCCCCCCCCCOC(=O)C(CCC)CCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients