2-Methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
PubChem CID: 16218817
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| Compound Synonyms | SCHEMBL17634333 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 21.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | PILXJZCIDZQCRA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | 2-Methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol, hydrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.146 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.26 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 2.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol, hydrate |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.8752615999999998 |
| Inchi | InChI=1S/C10H18O.H2O/c1-7(2)10-5-4-9(3,11)8(10)6-10, /h7-8,11H,4-6H2,1-3H3, 1H2 |
| Smiles | CC(C)C12CCC(C1C2)(C)O.O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H20O2 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients