Myristyl Acetate
PubChem CID: 12531
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| Compound Synonyms | Tetradecyl acetate, Myristyl acetate, 638-59-5, 1-Tetradecanol, acetate, Tetradecanol acetate, TETRADECYLACETATE, 1-Tetradecanol, 1-acetate, G9O55CT350, EINECS 211-344-8, AI3-11586, DTXSID40862341, ACETIC ACID, TETRADECYL ESTER, UNII-G9O55CT350, n-tetradecyl acetate, tetradecanoyl acetate, MFCD00053737, 1-Tetradecyl acetate, 1-Tetradecanyl acetate, tetradecan-1-yl acetate, SCHEMBL506542, MYRISTYL ACETATE [INCI], CHEMBL2228462, DTXCID90811122, CHEBI:179737, LMFA07010331, AKOS016006385, CS-W023024, DS-2512, HY-W042284, FT143508, DB-344390, NS00042533, Q27278976, 211-344-8 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCCCCOC=O)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradecyl acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H32O2 |
| Inchi Key | IOUUIFSIQMVYKP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | tetradecyl acetate |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Myristyl Acetate |
| Exact Mass | 256.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.42 |
| 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/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCOC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701227 - 2. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:ISBN:9788172363093