(6R)-6,10-dimethylundecan-2-one
PubChem CID: 1715160
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| Compound Synonyms | (6R)-6,10-dimethylundecan-2-one, SCHEMBL2351371, (R)-6,10-dimethyl-2-undecanone, (R)-6,10-dimethylundecan-2-one, (R,S)-6,10-dimethyl-undecan-2-one |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6R)-6,10-dimethylundecan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C13H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBGLEUBCAJNCTR-GFCCVEGCSA-N |
| Fcsp3 | 0.9230769230769232 |
| Logs | -4.523 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.705 |
| Compound Name | (6R)-6,10-dimethylundecan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 198.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.39567 |
| Inchi | InChI=1S/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3/t12-/m1/s1 |
| Smiles | C[C@H](CCCC(C)C)CCCC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients