2-Hydroxy-3-(3-methyl-2-butenyl)-3-cyclopenten-1-one
PubChem CID: 565242
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| Compound Synonyms | 2-Hydroxy-3-(3-methyl-2-butenyl)-3-cyclopenten-1-one, 3-Cyclopenten-1-one, 2-hydroxy-3-(3-methyl-2-butenyl)-, WPWUOBZPIKDGCB-UHFFFAOYSA-N, 2-Hydroxy-3-(3-methyl-2-butenyl)-3-cyclopenten-1-one #, 2-hydroxy-3-(3-methyl-but-2-enyl)-cyclopent-3-en-1-one |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | WPWUOBZPIKDGCB-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | 2-Hydroxy-3-(3-methyl-2-butenyl)-3-cyclopenten-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-3-(3-methylbut-2-enyl)cyclopent-3-en-1-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.614264 |
| Inchi | InChI=1S/C10H14O2/c1-7(2)3-4-8-5-6-9(11)10(8)12/h3,5,10,12H,4,6H2,1-2H3 |
| Smiles | CC(=CCC1=CCC(=O)C1O)C |
| Xlogp | 1.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H14O2 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients