Nonacosyl non-4-enoate
PubChem CID: 71338299
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| Compound Synonyms | NONACOSYL NON-4-ENOATE, 114416-35-2, DTXSID00765900 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCC=CCCCC |
| Heavy Atom Count | 40.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosyl non-4-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 17.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C38H74O2 |
| Inchi Key | WRBFDQBCGUWURS-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 35.0 |
| Synonyms | nonacosyl non-4-enoate |
| Esol Class | Insoluble |
| Functional Groups | CC=CC, COC(C)=O |
| Compound Name | Nonacosyl non-4-enoate |
| Exact Mass | 562.569 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 562.569 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 563.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C38H74O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-40-38(39)36-34-32-10-8-6-4-2/h10,32H,3-9,11-31,33-37H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC=CCCCC |
| 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 Melochia Corchorifolia (Plant) Rel Props:Reference:ISBN:9770972795006