Methyl Hexacosanoate
PubChem CID: 22048
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| Compound Synonyms | METHYL HEXACOSANOATE, 5802-82-4, Hexacosanoic acid methyl ester, Hexacosanoic acid, methyl ester, Cerotic acid methyl ester, EINECS 227-355-6, DTXSID80206745, MFCD00042895, methylhexacosanoate, G85MYW3QLN, SCHEMBL3504339, DTXCID10129236, CHEBI:192288, Hexacosanoic acid-methyl ester 10 microg/mL in Methyl-tert-butyl ether, AKOS015903232, Methyl hexacosanoate, analytical standard, AS-57418, BP-29849, Hexacosanoic acid methyl ester (FAME MIX), HY-134127, CS-0138229, NS00033838, Methyl hexacosanoate, >=99% (capillary GC), F3B7AB53-096F-457F-8FC2-5090CC791BBB, 227-355-6 |
|---|---|
| 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 | Hydroxy fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCC=O)OC |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl hexacosanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 13.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C27H54O2 |
| Inchi Key | VHUJBYYFFWDLNM-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 25.0 |
| Synonyms | methyl hexacosonoate, methyl hexadecanate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Methyl Hexacosanoate |
| Exact Mass | 410.412 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.412 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 410.7 |
| 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/C27H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h3-26H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1487