Tridec-12-enal
PubChem CID: 57284057
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 12-Tridecenal, TRIDEC-12-ENAL, 63618-39-3, DTXSID30720749, SCHEMBL1701372, DTXCID80671494 |
|---|---|
| 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 | C=CCCCCCCCCCCC=O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tridec-12-enal |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H24O |
| Inchi Key | NNIGUEYKNYGPNH-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | 12-tridecenal |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC=O |
| Compound Name | Tridec-12-enal |
| Exact Mass | 196.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 196.33 |
| 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 |
| Inchi | InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,13H,1,3-12H2 |
| Smiles | C=CCCCCCCCCCCC=O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676