Hexacosyl acetate
PubChem CID: 3083648
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| Compound Synonyms | hexacosyl acetate, 822-32-2, 1-Hexacosyl acetate, Cetyl alcohol acetate, Acetic acid hexacosyl ester, 1-Hexacosanol, acetate, hexacosylacetate, hexacosanol acetate, n-Hexacosyl acetate, MFCD00057783, Acetic acid, hexacosyl ester, SCHEMBL21044757, DTXSID00231615, TXJQEFZXBSKQGU-UHFFFAOYSA-N, AKOS015899634, AS-77337, FH181085, DB-011585, Cetyl Alcohol Acetate, Hexacosan-1-yl Acetate, D93239 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexacosyl acetate |
| Prediction Hob | 0.0 |
| Xlogp | 13.2 |
| Molecular Formula | C28H56O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TXJQEFZXBSKQGU-UHFFFAOYSA-N |
| Fcsp3 | 0.9642857142857144 |
| Logs | -7.518 |
| Rotatable Bond Count | 26.0 |
| Logd | 4.619 |
| Compound Name | Hexacosyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.428 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.428 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 424.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.048274800000002 |
| Inchi | InChI=1S/C28H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-28(2)29/h3-27H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients