(2E,5R)-2-Hexa-2,4-Diynylidene-1,6-Dioxaspiro[4.4]Nona-3,7-Diene
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL507354 | |
| PubChem: | 44575221 | |
| IUPAC: | (2E,5R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-diene | |
| Standard InChI: | InChI=1S/C13H10O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h6-8,10-11H,9H2,1H3/b12-7+/t13-/m1/s1 | |
| Standard InChI Key: | IBELVOGDVQQPMZ-BWODNOAJSA-N | |
| SMILES: | CC#CC#C/C=C/1C=C[C@]2(O1)CC=CO2 | |
Molecular propeties
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| AlogP: | 2.11 | |
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| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 198.07 | |
| Topological polar surface area: | 18.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.231 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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