E-15-Heptadecenal
PubChem CID: 5363097
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| Compound Synonyms | E-15-Heptadecenal, (15E)-15-Heptadecenal #, TWWSXAKLFHYWQT-NSCUHMNNSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty aldehydes |
| Deep Smiles | O=CCCCCCCCCCCCCC/C=C/C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-heptadec-15-enal |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | TWWSXAKLFHYWQT-NSCUHMNNSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.8235294117647058 |
| Logs | -5.924 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.037 |
| Synonyms | (e)-15-heptadecenal, e-15-heptadecenal |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, CC=O |
| Compound Name | E-15-Heptadecenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 252.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.746240399999999 |
| Inchi | InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-3,17H,4-16H2,1H3/b3-2+ |
| Smiles | C/C=C/CCCCCCCCCCCCCC=O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Alhagi Maurorum (Plant) Rel Props:Reference:https://doi.org/10.1007/s10600-012-0417-8 - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112