Tridecyl Behenate
PubChem CID: 22287906
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| Compound Synonyms | TRIDECYL BEHENATE, 42233-08-9, tridecyl docosanoate, SCHEMBL236962, DTXSID40624401, VBCBSDJKFLGBIX-UHFFFAOYSA-N |
|---|---|
| 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)OCCCCCCCCCCCCC |
| Heavy Atom Count | 37.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tridecyl docosanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 16.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C35H70O2 |
| Inchi Key | VBCBSDJKFLGBIX-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 33.0 |
| Synonyms | tridecyl docosanoate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Tridecyl Behenate |
| Exact Mass | 522.538 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 522.538 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 522.9 |
| 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/C35H70O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35(36)37-34-32-30-28-26-24-14-12-10-8-6-4-2/h3-34H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC |
| 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 Artocarpus Heterophyllus (Plant) Rel Props:Reference:ISBN:9788172362089