1,1-Undecanediol
PubChem CID: 20365905
Connections displayed (default: 10).
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| Compound Synonyms | 1,1-Undecanediol, 149639-35-0, Undecanediol, SCHEMBL285124, QSPL 122, G75432 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | undecane-1,1-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C11H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GRXOWOKLKIZFNP-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.738 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.804 |
| Compound Name | 1,1-Undecanediol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 188.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0028281999999997 |
| Inchi | InChI=1S/C11H24O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h11-13H,2-10H2,1H3 |
| Smiles | CCCCCCCCCCC(O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Thalictrum Ichangense (Plant) Rel Props:Source_db:cmaup_ingredients