(s)-2-Methylcyclopentanone
PubChem CID: 6999932
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| Compound Synonyms | (s)-2-methylcyclopentanone, (A+/-)-2-Methyl-cyclopentanone |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.2 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-methylcyclopentan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C6H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZIXLDMFVRPABBX-YFKPBYRVSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.196 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.206 |
| Compound Name | (s)-2-Methylcyclopentanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 98.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 98.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.059599 |
| Inchi | InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3/t5-/m0/s1 |
| Smiles | C[C@H]1CCCC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all