1-Tetradecyne
PubChem CID: 69823
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| Compound Synonyms | 1-Tetradecyne, 765-10-6, tetradec-1-yne, Tetradecyne, EINECS 212-139-6, 1-C14H26, DTXSID4061096, MFCD00015076, 28GN3UC2RF, 1-Tetradecyne, >=97.0%, DTXCID9047887, AKOS015836225, LS-14352, CS-0197421, NS00037800, T0761, D86375 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCC#C |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradec-1-yne |
| Veber Rule | True |
| Classyfire Superclass | Acetylides |
| Xlogp | 6.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H26 |
| Inchi Key | DZEFNRWGWQDGTR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 1-tetradecyne |
| Esol Class | Moderately soluble |
| Functional Groups | C#CC |
| Compound Name | 1-Tetradecyne |
| Exact Mass | 194.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 194.36 |
| Gi Absorption | False |
| 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/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3 |
| Smiles | CCCCCCCCCCCCC#C |
| 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 Clinopodium Bolivianum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199801/02)13:1<1::aid-ffj672>3.0.co;2-4