Cetyl caprylate
PubChem CID: 448864
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| Compound Synonyms | Cetyl caprylate, Hexadecyl octanoate, 29710-31-4, Cetyl octanoate, Octanoic acid, hexadecyl ester, Palmityl octanoate, Cetyl capyrate, Hexadecyl octanoate #, SCHEMBL33548, DTXSID30865508, DB-047632, NS00009369 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecyl octanoate |
| Prediction Hob | 0.0 |
| Xlogp | 10.9 |
| Molecular Formula | C24H48O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWMMZQMXUWUJME-UHFFFAOYSA-N |
| Fcsp3 | 0.9583333333333334 |
| Logs | -7.339 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.741 |
| Compound Name | Cetyl caprylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 368.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.502805200000001 |
| Inchi | InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-26-24(25)22-20-18-8-6-4-2/h3-23H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCOC(=O)CCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients