2-(2,4-Hexadiynylidene)-2,5-dihydrofuran
PubChem CID: 129671260
Connections displayed (default: 10).
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| Compound Synonyms | 2-(2,4-hexadiynylidene)-2,5-dihydrofuran |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hexa-2,4-diynylidene-2H-furan |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C10H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYXQMMCQXBIEGG-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.741 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.133 |
| Compound Name | 2-(2,4-Hexadiynylidene)-2,5-dihydrofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1324726 |
| Inchi | InChI=1S/C10H8O/c1-2-3-4-5-7-10-8-6-9-11-10/h6-8H,9H2,1H3 |
| Smiles | CC#CC#CC=C1C=CCO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ajuga Reptans (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Girgensohnia Diptera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Smallanthus Glabratus (Plant) Rel Props:Source_db:cmaup_ingredients