(3R)-3-methylundecan-2-one
PubChem CID: 12634601
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-methylundecan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C12H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KSIQCBVUTKCESV-LLVKDONJSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -3.588 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.59 |
| Compound Name | (3R)-3-methylundecan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 184.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.352802599999999 |
| Inchi | InChI=1S/C12H24O/c1-4-5-6-7-8-9-10-11(2)12(3)13/h11H,4-10H2,1-3H3/t11-/m1/s1 |
| Smiles | CCCCCCCC[C@@H](C)C(=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients