Methyl 3-hydroxytetradecanoate
PubChem CID: 180523
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| Compound Synonyms | Methyl 3-hydroxytetradecanoate, 55682-83-2, 3-Hydroxy Myristic Acid Methyl Ester, Tetradecanoic acid, 3-hydroxy-, methyl ester, 104871-97-8, METHYL (+/-)-3-HYDROXYMYRISTATE, DTXSID50971039, 3-Hydroxytetradecanoic acid methyl ester, DL-beta-Hydroxymyristic acid methyl ester, MFCD00211257, SCHEMBL2504944, DTXCID401002429, BCP33009, AKOS040755437, HY-W342499, PD077279, SY314471, Tetradecanoic acid,3-hydroxy-,methyl ester, DB-052771, CS-0453577, (S)-Methyl 3-hydroxytetradecanoate, Methyl (S)-3-Hydroxytetradecanoate |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | CCCCCCCCCCCCCC=O)OC))))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3-hydroxytetradecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H30O3 |
| Inchi Key | UOZZAMWODZQSOA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | methyl 3-hydroxytetradecanoate |
| Esol Class | Soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | Methyl 3-hydroxytetradecanoate |
| Exact Mass | 258.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 258.399 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14,16H,3-13H2,1-2H3 |
| Smiles | CCCCCCCCCCCC(CC(=O)OC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Annona Glabra (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699844