4,4-Dimethyl-2-cyclopenten-1-one
PubChem CID: 140955
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4,4-Dimethyl-2-cyclopenten-1-one, 22748-16-9, 4,4-dimethylcyclopent-2-en-1-one, 4,4-dimethylcyclopent-2-enone, 4,4-dimethyl-2-cyclopentenone, DTXSID60177287, MFCD00075081, 2-Cyclopenten-1-one, 4,4-dimethyl-, SCHEMBL1536047, DTXCID6099778, 4,4-dimethyl-2-cyclopentene-1-one, 4,4-dimethyl-cyclopent-2-en-1-one, AKOS016006808, ES-2008, HY-W024604, s10959, DA-49661, PD167326, 4,4-Dimethyl-2-cyclopenten-1-one, 99%, CS-0061115, EN300-119490, 624-895-8 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,4-dimethylcyclopent-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C7H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVFVCSCZJJGBAK-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.78 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.291 |
| Compound Name | 4,4-Dimethyl-2-cyclopenten-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 110.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 110.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4112671999999997 |
| Inchi | InChI=1S/C7H10O/c1-7(2)4-3-6(8)5-7/h3-4H,5H2,1-2H3 |
| Smiles | CC1(CC(=O)C=C1)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients