(E)-7-Tetradecenal
PubChem CID: 5283367
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (E)-7-Tetradecenal, 7-tetradecenal, 37011-96-4, 7-Tetradecenal, (E)-, 7-Tetradecenal, (7E)-, 7-tetradecenal, E, 51MY5W0G5C, UNII-51MY5W0G5C, 7-Tetradecenal, (7Z)-, (E)-tetradec-7-enal, (7E)-7-tetradecenal, SCHEMBL336627, AVHNDAZRNRAYTP-BQYQJAHWSA-N, CHEBI:179486, LMFA06000080, Q27260911 |
|---|---|
| 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 | CCCCCC/C=C/CCCCCC=O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-tetradec-7-enal |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H26O |
| Inchi Key | AVHNDAZRNRAYTP-BQYQJAHWSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | (e)-7-tetradecenal, 7-tetradecenal |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, CC=O |
| Compound Name | (E)-7-Tetradecenal |
| Exact Mass | 210.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 210.36 |
| 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/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-8,14H,2-6,9-13H2,1H3/b8-7+ |
| Smiles | CCCCCC/C=C/CCCCCC=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 Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1505556