3-Hexadecyne
PubChem CID: 548886
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| Compound Synonyms | 3-Hexadecyne, 61886-62-2, DTXSID80338393, DTXCID40289478, NS00096035 |
|---|---|
| Ghose Rule | False |
| 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#CCC |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Acetylenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadec-3-yne |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H30 |
| Inchi Key | HRFPRVYNMNOAQO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 3-hexadecyne |
| Esol Class | Moderately soluble |
| Functional Groups | CC#CC |
| Compound Name | 3-Hexadecyne |
| Exact Mass | 222.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 222.41 |
| 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/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-5,7,9-16H2,1-2H3 |
| Smiles | CCCCCCCCCCCCC#CCC |
| 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 Pogostemon Cablin (Plant) Rel Props:Reference:https://doi.org/10.1111/1750-3841.12118 - 2. Outgoing r'ship
FOUND_INto/from Pulicaria Undulata (Plant) Rel Props:Reference:ISBN:9788172362461