2-Hydroxydodecyl methacrylate
PubChem CID: 114522
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| Compound Synonyms | 2-Hydroxydodecyl methacrylate, 2-hydroxydodecyl 2-methylprop-2-enoate, 13438-18-1, EINECS 236-574-6, 2-oxidanyldodecyl 2-methylprop-2-enoate, SCHEMBL2763347, DTXSID40928592, RDFIICFCNKXLHC-UHFFFAOYSA-N, NS00054390, 2-methyl-2-propenoic acid 2-hydroxydodecyl ester, A806935 |
|---|---|
| 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 | Fatty alcohols, Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCOC=O)C=C)C)))))O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxydodecyl 2-methylprop-2-enoate |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohol esters |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H30O3 |
| Inchi Key | RDFIICFCNKXLHC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | 2-Hydroxydodecyl 2-methylprop-2-enoic acid, 2-Hydroxydodecyl methacrylic acid, 2-hydroxydodecyl methacrylate, ketones |
| Esol Class | Moderately soluble |
| Functional Groups | C=C(C)C(=O)OC, CO |
| Compound Name | 2-Hydroxydodecyl methacrylate |
| Kingdom | Organic compounds |
| Exact Mass | 270.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 270.41 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H30O3/c1-4-5-6-7-8-9-10-11-12-15(17)13-19-16(18)14(2)3/h15,17H,2,4-13H2,1,3H3 |
| Smiles | CCCCCCCCCCC(COC(=O)C(=C)C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohol esters |
| Np Classifier Superclass | Fatty acyls, Fatty esters |
- 1. Outgoing r'ship
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FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100105 - 3. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100105 - 4. Outgoing r'ship
FOUND_INto/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100105 - 5. Outgoing r'ship
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FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700874 - 7. Outgoing r'ship
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FOUND_INto/from Erigeron Canadensis (Plant) Rel Props:Reference:ISBN:9788172362300 - 9. Outgoing r'ship
FOUND_INto/from Eucalyptus Alba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700874 - 10. Outgoing r'ship
FOUND_INto/from Gymnema Sylvestre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700451