2-Pentadecenal
PubChem CID: 6428898
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| Compound Synonyms | 2-Pentadecenal, (E)-2-pentadecenal, 2-Pentadecenal, (E)-, 2-Pentadecenal, (2E)-, 97C41TO73O, UNII-97C41TO73O, 96360-08-6, 64462-00-6, (E)-pentadec-2-enal, Pentadecenal, SCHEMBL1372456, SCHEMBL1782575, Q27272002 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCC/C=C/C=O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-pentadec-2-enal |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H28O |
| Inchi Key | MLTULPRRIKTZBN-BUHFOSPRSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | (e)-2-pentadecenal, pentadecenal |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C=O |
| Compound Name | 2-Pentadecenal |
| Exact Mass | 224.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 224.38 |
| 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 |
| Inchi | InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h13-15H,2-12H2,1H3/b14-13+ |
| Smiles | CCCCCCCCCCCC/C=C/C=O |
| 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 Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2004.10643364 - 2. Outgoing r'ship
FOUND_INto/from Litsea Monopetala (Plant) Rel Props:Reference:ISBN:9770972795006