Tetradecyl acrylate
PubChem CID: 88984
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| Compound Synonyms | Tetradecyl acrylate, 21643-42-5, Acrylic Acid Tetradecyl Ester, tetradecyl prop-2-enoate, 2-Propenoic acid, tetradecyl ester, Tetradecyl Acrylate (stabilized with MEHQ), Tetradecyl 2-propenoate, 2-Propenoic acid, n-tetradecyl ester, DTXSID2066721, EINECS 244-491-1, EC 244-491-1, tetradecylacrylate, 2-Propenoic acid,tetradecyl ester, MFCD00673244, Tetradecyl acrylate #, SCHEMBL164269, Acrylic acid, tetradecyl ester, VRE8K887S7, DTXCID3036527, BS-23467, CS-0167396, NS00001095, T2265, Tetradecyl Acrylate, (stabilized with MEHQ), D92591, Tetradecyl Acrylate, >/=95%,stabilized with MEHQ, 244-491-1 |
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| 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=C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradecyl prop-2-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H32O2 |
| Inchi Key | XZHNPVKXBNDGJD-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | tetradecyl acrylate |
| Esol Class | Moderately soluble |
| Functional Groups | C=CC(=O)OC |
| Compound Name | Tetradecyl acrylate |
| Exact Mass | 268.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.4 |
| 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/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3 |
| Smiles | CCCCCCCCCCCCCCOC(=O)C=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 Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1417747