4,7-Dimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol
PubChem CID: 5317459
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ARNWFAZETRLOCG-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.671 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.315 |
| Compound Name | 4,7-Dimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol |
| 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 | -0.9460632 |
| Inchi | InChI=1S/C10H16O2/c1-6-4-12-5-9-7(2)10(11)3-8(6)9/h6,8,10-11H,3-5H2,1-2H3 |
| Smiles | CC1COCC2=C(C(CC12)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Polygama (Plant) Rel Props:Source_db:cmaup_ingredients