Cyclopentaneethanol, beta,2,3-trimethyl-
PubChem CID: 549899
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| Compound Synonyms | OWKCKKNIZCLWKT-UHFFFAOYSA-N, 2-(2,3-Dimethylcyclopentyl)-1-propanol #, Cyclopentaneethanol, .beta.,2,3-trimethyl- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,3-dimethylcyclopentyl)propan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWKCKKNIZCLWKT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.038 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.576 |
| Compound Name | Cyclopentaneethanol, beta,2,3-trimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5920677999999997 |
| Inchi | InChI=1S/C10H20O/c1-7-4-5-10(9(7)3)8(2)6-11/h7-11H,4-6H2,1-3H3 |
| Smiles | CC1CCC(C1C)C(C)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients