Benzyl palmitate
PubChem CID: 13908925
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| Compound Synonyms | Benzyl palmitate, palmitic acid benzyl ester, 41755-60-6, Benzyl hexadecanoate, Hexadecanoic acid, phenylmethyl ester, V5DZS5IE7C, Hexadecanoic acid benzyl ester, UNII-V5DZS5IE7C, CHEMBL136551, SCHEMBL1356933, DTXSID10194580, AS-76852, D93467, Q27291558 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)OCcccccc6 |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzyloxycarbonyls |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzyl hexadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 8.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H38O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | CKEVMZSLVHLLBF-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 17.0 |
| Synonyms | benzyl palmitate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Benzyl palmitate |
| Exact Mass | 346.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 346.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(24)25-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
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FOUND_INto/from Rosa Banksiae (Plant) Rel Props:Reference:ISBN:9788185042114