(1R,4aR)-1-(hydroxymethyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-ol
PubChem CID: 163006607
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,4aR)-1-(hydroxymethyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C9H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QJCCWFCDQUIYBS-APPZFPTMSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -1.959 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.161 |
| Compound Name | (1R,4aR)-1-(hydroxymethyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 170.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5961896 |
| Inchi | InChI=1S/C9H14O3/c10-6-9(11)8-3-1-2-7(8)4-5-12-9/h3,7,10-11H,1-2,4-6H2/t7-,9+/m1/s1 |
| Smiles | C1C[C@@H]2CCO[C@](C2=C1)(CO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Caragana Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Genista Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Saprosma Scortechinii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Tanacetum Cinerariifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Tetragonia Tetragonioides (Plant) Rel Props:Source_db:cmaup_ingredients