(2R)-2-[(1R,3R,4S)-3-hydroxy-4-methylcyclohexyl]propane-1,2-diol
PubChem CID: 21593208
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | QOYJDVFOAJUXAR-JLIMGVALSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Compound Name | (2R)-2-[(1R,3R,4S)-3-hydroxy-4-methylcyclohexyl]propane-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.141 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 188.26 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R)-2-[(1R,3R,4S)-3-hydroxy-4-methylcyclohexyl]propane-1,2-diol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.1209553999999997 |
| Inchi | InChI=1S/C10H20O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h7-9,11-13H,3-6H2,1-2H3/t7-,8+,9+,10-/m0/s1 |
| Smiles | C[C@H]1CC[C@H](C[C@H]1O)[C@](C)(CO)O |
| Xlogp | 0.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H20O3 |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:cmaup_ingredients