Cyclohex-3-en-1-one
PubChem CID: 77727
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cyclohex-3-en-1-one, 3-Cyclohexen-1-one, 4096-34-8, Cyclohex-3-enone, EINECS 223-850-6, 3-cyclohexenone, CHEBI:48952, DTXSID80193964, VNLZLLDMKRKVEX-UHFFFAOYSA-N, MFCD00100914, AKOS024046890, NS00030889, G71531, EN300-1268277, Q27121400 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclohex-3-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C6H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VNLZLLDMKRKVEX-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.903 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.833 |
| Compound Name | Cyclohex-3-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 96.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 96.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 96.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9147997999999999 |
| Inchi | InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2H,3-5H2 |
| Smiles | C1CC(=O)CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients