(3E)-3-hexa-2,4-diynylidenespiro[4.4]non-1-ene-4,9-dione
PubChem CID: 5318038
Connections displayed (default: 10).
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| Topological Polar Surface Area | 34.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 577.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-3-hexa-2,4-diynylidenespiro[4.4]non-1-ene-4,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BHWCDCASVQVNOX-KPKJPENVSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.128 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.923 |
| Compound Name | (3E)-3-hexa-2,4-diynylidenespiro[4.4]non-1-ene-4,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 224.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.7487057999999998 |
| Inchi | InChI=1S/C15H12O2/c1-2-3-4-5-7-12-9-11-15(14(12)17)10-6-8-13(15)16/h7,9,11H,6,8,10H2,1H3/b12-7+ |
| Smiles | CC#CC#C/C=C/1\C=CC2(C1=O)CCCC2=O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Lathyris (Plant) Rel Props:Source_db:cmaup_ingredients