Tetradecanoic acid, trimethylsilyl ester
PubChem CID: 519592
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| Compound Synonyms | Tetradecanoic acid, trimethylsilyl ester, trimethylsilyl tetradecanoate, 18603-17-3, Tetradecanoic acid trimethylsilyl ester, Trimethylsilyl ester of Tetradecanoic acid, Trimethylsilyl myristate, Tetradecanoic acid, TMS, tetradecanoic acid tms ester, Myristic acid, TMS derivative, Tetradecanoic acid, TMS ester, SCHEMBL6554418, DTXSID00334079, Myristic acid, trimethylsilyl ester, n-Tetradecanoic acid, trimethylsilyl ester |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCCCCCC=O)O[Si]C)C)C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Organometalloid compounds |
| Classyfire Subclass | Organosilicon compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trimethylsilyl tetradecanoate |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Organometallic compounds |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H36O2Si |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZRVCKPDUOGAPSZ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.9411764705882352 |
| Logs | -6.994 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.857 |
| Synonyms | tetradecanoic acid, trimethyl silyl ester(isomeric form), tetradecanoicacid,trimethylsilylester(isomericform) |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O[Si](C)(C)C |
| Compound Name | Tetradecanoic acid, trimethylsilyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.248 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.248 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 300.6 |
| Gi Absorption | True |
| 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/C17H36O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-20(2,3)4/h5-16H2,1-4H3 |
| Smiles | CCCCCCCCCCCCCC(=O)O[Si](C)(C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644099 - 2. Outgoing r'ship
FOUND_INto/from Polygonatum Odoratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all