5-Butylcyclohexane-1,2,3,5-tetrol
PubChem CID: 3025956
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| Compound Synonyms | Thellungianol, 205245-82-5, 5-Butyl-1,2,3,5-cyclohexanetetrol, 1,2,3,5-Cyclohexanetetrol, 5-butyl-, 5-butylcyclohexane-1,2,3,5-tetrol, DTXSID40942697 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-butylcyclohexane-1,2,3,5-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C10H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AQMAVSQMURUBIB-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.669 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.177 |
| Compound Name | 5-Butylcyclohexane-1,2,3,5-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8139491999999999 |
| Inchi | InChI=1S/C10H20O4/c1-2-3-4-10(14)5-7(11)9(13)8(12)6-10/h7-9,11-14H,2-6H2,1H3 |
| Smiles | CCCCC1(CC(C(C(C1)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pimpinella Thelungiana (Plant) Rel Props:Source_db:cmaup_ingredients