[(2R)-oxan-2-yl]methanol
PubChem CID: 7057982
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| Compound Synonyms | 70766-06-2, [(2R)-oxan-2-yl]methanol, (R)-(Tetrahydro-2h-pyran-2-yl)methanol, MFCD22681530, 2H-Pyran-2-methanol, tetrahydro-, (2R)-, (2r)-oxan-2-ylmethanol, (R)-2-(Hydroxymethyl)oxane, SCHEMBL1691283, ROTONRWJLXYJBD-ZCFIWIBFSA-N, AKOS026675703, (2R)-tetrahydro-2H-pyran-2-ylmethanol, AS-81100, TS-01604, CS-0185314 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 63.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-oxan-2-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C6H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ROTONRWJLXYJBD-ZCFIWIBFSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.738 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.559 |
| Compound Name | [(2R)-oxan-2-yl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 116.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6894919999999998 |
| Inchi | InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2/t6-/m1/s1 |
| Smiles | C1CCO[C@H](C1)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients