7-Octen-2-one
PubChem CID: 19315
Connections displayed (default: 10).
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| Compound Synonyms | 7-OCTEN-2-ONE, oct-7-en-2-one, 3664-60-6, CHEBI:87581, DTXSID30190105, SCHEMBL514535, DTXCID00112596, DAA66460, AKOS006324121, EN300-247829, Q27159749 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oct-7-en-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C8H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RXHCEQYNSQNEOK-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -1.576 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.855 |
| Compound Name | 7-Octen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 126.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4831337999999996 |
| Inchi | InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h3H,1,4-7H2,2H3 |
| Smiles | CC(=O)CCCCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients