Pentadecyl acrylate
PubChem CID: 543579
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| Compound Synonyms | Pentadecyl acrylate, 43080-23-5, pentadecyl prop-2-enoate, 7TR4WN2EKE, EINECS 256-078-3, 2-Propenoic acid, pentadecyl ester, UNII-7TR4WN2EKE, Pentadecyl acrylate #, SCHEMBL77888, DTXSID70195679, 2-Propenoic acid, n-pentadecyl ester, NS00031298 |
|---|---|
| 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 | CCCCCCCCCCCCCCCOC=O)C=C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 223.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentadecyl prop-2-enoate |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GOZDOXXUTWHSKU-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.8333333333333334 |
| Logs | -6.81 |
| Rotatable Bond Count | 16.0 |
| Logd | 3.878 |
| Synonyms | pentadecyl acrylate |
| Esol Class | Moderately soluble |
| Functional Groups | C=CC(=O)OC |
| Compound Name | Pentadecyl acrylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 282.5 |
| 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 |
| Esol | -5.4430016 |
| Inchi | InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(19)4-2/h4H,2-3,5-17H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCOC(=O)C=C |
| Nring | 0.0 |
| 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 Cocos Nucifera (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Nelumbo Lutea (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Torreya Nucifera (Plant) Rel Props:Reference: