8-Methyloctahydrocoumarin
PubChem CID: 565323
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| Compound Synonyms | 8-Methyloctahydrocoumarin, PLUKUDPETUOLLD-UHFFFAOYSA-N, 8-Methyloctahydro-2H-chromen-2-one #, NS00113968 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PLUKUDPETUOLLD-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -3.343 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.611 |
| Compound Name | 8-Methyloctahydrocoumarin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3509632 |
| Inchi | InChI=1S/C10H16O2/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h7-8,10H,2-6H2,1H3 |
| Smiles | CC1CCCC2C1OC(=O)CC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Persicaria Perfoliata (Plant) Rel Props:Source_db:cmaup_ingredients