Myristyl oleate
PubChem CID: 5365034
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| Compound Synonyms | MYRISTYL OLEATE, Tetradecyl oleate, 22393-85-7, Oleic acid, tetradecyl ester, tetradecyl (Z)-octadec-9-enoate, UNII-OK78K2PL0J, tetradecyl 9Z-octadecenoate, OK78K2PL0J, tetradecanyl 9Z-octadecenoate, EINECS 244-949-0, 9-Octadecenoic acid (Z)-, tetradecyl ester, EC 244-949-0, WE(14:0/18:1(9Z)), TETRADECYL ESTER 9-OCTADECENOIC ACID, (9Z)-, 9-OCTADECENOIC ACID, TETRADECYL ESTER, (9Z)-, Myristyl oleic acid, tetradecyl z-9-octadecenoate, SCHEMBL155426, CHEBI:165694, Tetradecyl (9Z)-9-octadecenoate #, LMFA07010115, NSC152062, HY-W835768, NSC-152062, NS00008866, Q27285699 |
|---|---|
| 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 | CCCCCCCCCCCCCCOC=O)CCCCCCC/C=CCCCCCCCC |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradecyl (Z)-octadec-9-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H62O2 |
| Inchi Key | DHZWALZKPWZSMA-ZCXUNETKSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 29.0 |
| Synonyms | myristyl oleate |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | Myristyl oleate |
| Exact Mass | 478.475 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.475 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 478.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18H,3-16,19-31H2,1-2H3/b18-17- |
| Smiles | CCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
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