Methyl tricosanoate
PubChem CID: 75519
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| Compound Synonyms | Methyl tricosanoate, 2433-97-8, Tricosanoic acid, methyl ester, Tricosanoic acid methyl ester, MFCD00009349, UNII-4V3POB2675, 4V3POB2675, EINECS 219-420-2, Tricosanoic acid-methyl ester, DTXSID00179068, METHYL TRICOSANOATE [USP-RS], METHYL TRICOSANOATE (USP-RS), METHYLTRICOSANOATE, SCHEMBL891927, DTXCID30101559, CHEBI:143589, Tricosanoic acid methyl ester, n-, HY-N7868, BBL102953, STL556762, AKOS015903284, AS-9578, FM30869, Methyl tricosanoate, >=99.0% (GC), Methyl tricosanoate, analytical standard, SY066629, DB-046407, CS-0138673, NS00027624, G67587, FFDF5AAD-7F50-410B-AE3F-FAFBE527E4BC, Q27260549, Tricosanoic acid-methyl ester 10 microg/mL in Cyclohexane, Methyl tricosanoate, United States Pharmacopeia (USP) Reference Standard, 219-420-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCC=O)OC |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl tricosanoate |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 11.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H48O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VORKGRIRMPBCCZ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.9583333333333334 |
| Logs | -7.274 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.607 |
| Synonyms | methyl tricosanoate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Methyl tricosanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 368.6 |
| 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 |
| Esol | -7.4398052 |
| Inchi | InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
| Nring | 0.0 |
| 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 Dolichos Lablab (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697932 - 3. Outgoing r'ship
FOUND_INto/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1487