(E)-Hexadec-11-enal
PubChem CID: 5283376
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (E)-Hexadec-11-enal, 11-Hexadecenal, 57491-33-5, (e)-11-hexadecenal, (11E)-11-Hexadecenal, 11-Hexadecenal, (11E)-, E-11-Hexadecenal, EINECS 260-765-3, AI3-36726, 11-Hexadecenal, (E)-, (11E)-hexadec-11-enal, SCHEMBL461193, SCHEMBL811762, (11E)-11-Hexadecenal #, DTXSID601016280, LMFA06000092, AKOS015901481, DB-247247, NS00086380 |
|---|---|
| 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 | CCCC/C=C/CCCCCCCCCC=O |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hexadec-11-enal |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H30O |
| Inchi Key | AMTITFMUKRZZEE-AATRIKPKSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | 11-hexadecenal |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, CC=O |
| Compound Name | (E)-Hexadec-11-enal |
| Exact Mass | 238.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 238.41 |
| 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/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5+ |
| Smiles | CCCC/C=C/CCCCCCCCCC=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 Olea Europaea (Plant) Rel Props:Reference:ISBN:9770972795006