Methyl Stearate
PubChem CID: 8201
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| Compound Synonyms | METHYL STEARATE, 112-61-8, Methyl octadecanoate, Octadecanoic acid, methyl ester, Stearic acid methyl ester, Methyl n-octadecanoate, Stearic acid, methyl ester, Metholene 2218, Kemester 9718, Kemester 9018, Emery 2218, n-Octadecanoic acid methyl ester, METHYLSTEARATE, NSC 9418, HSDB 2901, UNII-8D4NXF3ZH7, Methyl-d3Stearate, EINECS 203-990-4, 8D4NXF3ZH7, MFCD00009005, OCTADECANOIC ACID,METHYL ESTER, BRN 1786213, Kemester 4516, AI3-07960, NSC-9418, DTXSID2047640, Methyl ester of octadecanoic acid, n-Octadecanoic acid, methyl ester, EC 203-990-4, 4-02-00-01216 (Beilstein Handbook Reference), WE(1:0/18:0), METHYL STEARATE (II), METHYL STEARATE [II], METHYL STEARATE (USP-RS), METHYL STEARATE [USP-RS], Octadecanoic acid-methyl ester, Methyl Stearate, Octadecanoic acid methyl ester, Methyl octadecanoate, Methyl stearate (Standard), C18 FAME, PASTELL M 180, SCHEMBL39262, octadecanoic acid methyl ester, METHYL STEARATE [HSDB], WLN: 17VO1, DTXCID0027640, Methyl stearate, >=96%, FG, Methyl stearate, ~99% (GC), CHEBI:69188, HY-B1934R, MSK1816, NSC9418, CS-D1357, HY-B1934, Methyl stearate, analytical standard, LMFA07010474, s5756, STL281377, AKOS015901560, 1ST1816, FM74199, STEARIC ACID METHYL ESTER [MI], AC-35013, BS-43767, SY027457, methyl stearate [standard material for gc], DB-003728, Octadecanoic acid methyl ester (FAME MIX), NS00001076, S0080, S0312, G75931, Q27137527, 6A62CF35-4D1C-47C0-8186-CAB436C59C3F, Methyl stearate, certified reference material, TraceCERT(R), Methyl stearate, European Pharmacopoeia (EP) Reference Standard, Methyl stearate, United States Pharmacopeia (USP) Reference Standard, 203-990-4, InChI=1/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCC=O)OC |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Description | Antifoaming agent and fermentation nutrient. Methyl stearate is found in cloves. |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl octadecanoate |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPEUJPJOZXNMSJ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.9473684210526316 |
| Logs | -6.888 |
| Rotatable Bond Count | 17.0 |
| State | Solid |
| Logd | 4.366 |
| Synonyms | Kemester 4516, Kemester 9018, Kemester 9718, Metholene 2218, Methyl (Z)-9-octadecenoate, Methyl ester of octadecanoic acid, Methyl n-octadecanoate, Methyl octadecanoate, Methyl stearate, N-octadecanoic acid methyl ester, N-octadecanoic acid, methyl ester, Octadecanoic acid, methyl ester, Octadecanoic acid,methyl ester, Stearic acid methyl ester, Stearic acid, methyl ester, Methyl stearic acid, Methyl ester OF octadecanoic acid, Methyl N-octadecanoate, N-Octadecanoic acid methyl ester, N-Octadecanoic acid, methyl ester, Methyl octadecanoic acid, methyl ester of octadecanoic acid, methyl ester of stearic acid, methyl octadecanoate, methyl octadecanoate (= methyl stearate), methyl stearate, methyloctadecanoate, octadecanoic acid methyl ester, octadecanoic acid, methyl ester, stearic acid methyl ester |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Methyl Stearate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 298.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -5.8292682 |
| Inchi | InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Fatty acid methyl esters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
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