Tetradecanenitrile
PubChem CID: 64678
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| Compound Synonyms | Tetradecanenitrile, Myristonitrile, 629-63-0, Tetradecanonitrile, ORANILE, 1-Cyanotridecane, Myristyl nitrile, NSC 910, EINECS 211-099-7, AI3-00310, DTXSID3060877, N-TRIDECYL CYANIDE, Cyanotridecane, clean nitrile, NSC910, Tridecyl Cyanide, MFCD00019848, C14-18 Nitriles, SCHEMBL1003191, DTXCID8043579, NSC-910, CHEBI:219505, EINECS 268-080-1, AKOS006037399, DB-054350, M0740, NS00020680, 211-099-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 23.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCC#N |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Organic cyanides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradecanenitrile |
| Veber Rule | False |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 5.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H27N |
| Inchi Key | MLRCLPRHEOPXLL-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | tetradecanonitrile |
| Esol Class | Moderately soluble |
| Functional Groups | CC#N |
| Compound Name | Tetradecanenitrile |
| Exact Mass | 209.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 209.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 209.37 |
| 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/C14H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3 |
| Smiles | CCCCCCCCCCCCCC#N |
| 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 Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493