7,7-Dimethylbicyclo[3.3.0]octan-2-one
PubChem CID: 6430783
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| Compound Synonyms | 7,7-Dimethylbicyclo[3.3.0]-octane-2-one, 7,7-Dimethylbicyclo[3.3.0]octan-2-one, HTCXXOQBBXKJIN-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,5-dimethyl-2,3,3a,4,6,6a-hexahydropentalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTCXXOQBBXKJIN-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -2.455 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.213 |
| Compound Name | 7,7-Dimethylbicyclo[3.3.0]octan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1635694 |
| Inchi | InChI=1S/C10H16O/c1-10(2)5-7-3-4-9(11)8(7)6-10/h7-8H,3-6H2,1-2H3 |
| Smiles | CC1(CC2CCC(=O)C2C1)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients