1,3-Pentadiyne
PubChem CID: 138385
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| Compound Synonyms | 1,3-Pentadiyne, penta-1,3-diyne, 4911-55-1, DTXSID90197695, CH3C.equiv.CC.equiv.CH, DTXCID50120186 |
|---|---|
| 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 | CC#CC#C |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 109.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | penta-1,3-diyne |
| Veber Rule | True |
| Classyfire Superclass | Acetylides |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H4 |
| Inchi Key | VNMDYSSJFJFEQI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1,3-pentadiyne |
| Esol Class | Very soluble |
| Functional Groups | C#CC#CC |
| Compound Name | 1,3-Pentadiyne |
| Exact Mass | 64.0313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 64.0313 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 64.08 |
| 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/C5H4/c1-3-5-4-2/h1H,2H3 |
| Smiles | CC#CC#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 Artemisia Dracunculus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644037