Bicyclo[3.2.0]heptane-2,6-diol, 5-(2-hydroxyethyl)-3,3-dimethyl-6-vinyl-, (Z)-
PubChem CID: 587017
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| Compound Synonyms | CBHVRILJVSEUEF-UHFFFAOYSA-N, Bicyclo[3.2.0]heptane-2,6-diol, 5-(2-hydroxyethyl)-3,3-dimethyl-6-vinyl-, (Z)-, 5-(2-Hydroxyethyl)-3,3-dimethyl-6-vinylbicyclo[3.2.0]heptane-2,6-diol # |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-ethenyl-5-(2-hydroxyethyl)-3,3-dimethylbicyclo[3.2.0]heptane-2,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C13H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CBHVRILJVSEUEF-UHFFFAOYSA-N |
| Fcsp3 | 0.8461538461538461 |
| Logs | -1.482 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.12 |
| Compound Name | Bicyclo[3.2.0]heptane-2,6-diol, 5-(2-hydroxyethyl)-3,3-dimethyl-6-vinyl-, (Z)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 226.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 226.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6247591999999997 |
| Inchi | InChI=1S/C13H22O3/c1-4-13(16)7-9-10(15)11(2,3)8-12(9,13)5-6-14/h4,9-10,14-16H,1,5-8H2,2-3H3 |
| Smiles | CC1(CC2(C(C1O)CC2(C=C)O)CCO)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients