Benzyl stearate
PubChem CID: 79659
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| Compound Synonyms | Benzyl stearate, 5531-65-7, benzyl octadecanoate, Octadecanoic Acid Phenylmethyl Ester, Octadecanoic acid, phenylmethyl ester, UNII-78032NV0EG, 78032NV0EG, EINECS 226-879-2, AI3-02112, DTXSID0063945, STEARIC ACID, BENZYL ESTER, benzylstearate, octadecanoic acid benzyl ester, Benzyl stearate #, SCHEMBL1322235, DTXCID3041871, AKOS030228013, AS-62526, DB-208339, CS-0168206, NS00033289, A10987, Q27266619, 226-879-2 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCC=O)OCcccccc6 |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzyloxycarbonyls |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzyl octadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 10.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H42O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | BPSLVNCMKDXZPC-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | benzyl stearate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Benzyl stearate |
| Exact Mass | 374.318 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.318 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 374.6 |
| 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/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Banksiae (Plant) Rel Props:Reference:ISBN:9788185042114