[(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol
PubChem CID: 162837103
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WDYQWWXADKGRQL-SFGNSQDASA-N |
| Fcsp3 | 0.8 |
| Logs | -0.95 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.713 |
| Compound Name | [(4aR,5R,7aR)-5-methyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methanol |
| Prediction Hob Swissadme | 1.0 |
| 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 | -1.0753631999999997 |
| Inchi | InChI=1S/C10H16O2/c1-7-4-8(5-11)10-6-12-3-2-9(7)10/h4,7,9-11H,2-3,5-6H2,1H3/t7-,9+,10-/m0/s1 |
| Smiles | C[C@H]1C=C([C@H]2[C@@H]1CCOC2)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients