1,7-Dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID: 5321107
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7-dimethylbicyclo[2.2.1]heptan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C9H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPTJCOFEESYONH-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.729 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.896 |
| Compound Name | 1,7-Dimethylbicyclo[2.2.1]heptan-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0450012 |
| Inchi | InChI=1S/C9H16O/c1-6-7-3-4-9(6,2)8(10)5-7/h6-8,10H,3-5H2,1-2H3 |
| Smiles | CC1C2CCC1(C(C2)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients