Cetyl Behenate
PubChem CID: 162506
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| Compound Synonyms | Hexadecyl docosanoate, Palmityl behenate, 42233-11-4, cetyl behenate, Docosanoic acid, hexadecyl ester, hexadecanyl docosanoate, UNII-WFM51TRO3E, WFM51TRO3E, EINECS 255-727-8, DTXSID9068376, BEHENIC ACID PALMITYL ESTER CRYSTALLINE, WE(16:0/22:0), Cetyl stearyl behenate, Behenic acid palmityl ester, CETYL BEHENATE [INCI], SCHEMBL148982, DTXCID2040072, LMFA07010056, HY-165865, NS00019671, Q27292612 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCC=O)OCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 40.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecyl docosanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 18.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C38H76O2 |
| Inchi Key | UEDYHQHDUXDFGA-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 36.0 |
| Synonyms | ceryl behenate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Cetyl Behenate |
| Exact Mass | 564.585 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 564.585 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 565.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Racemosa (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788171360536; ISBN:9788172360481; ISBN:9788185042084