Trimethylnonanol
PubChem CID: 18458409
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| Compound Synonyms | trimethylnonanol, SCHEMBL61071 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethyldecan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C12H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VDYMEZYCCRZRIR-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.09 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.964 |
| Compound Name | Trimethylnonanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 186.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4061017999999996 |
| Inchi | InChI=1S/C12H26O/c1-5-6-7-8-9-10-11(2)12(3,4)13/h11,13H,5-10H2,1-4H3 |
| Smiles | CCCCCCCC(C)C(C)(C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:cmaup_ingredients