Sodium 2,2-DimethylbutyrateProduct ingredient for 2,2-Dimethylbutyrate
- Name
- Sodium 2,2-Dimethylbutyrate
- Drug Entry
- 2,2-Dimethylbutyrate
- Accession Number
- DBSALT003354
- Structure
Structure for Sodium 2,2-Dimethylbutyrate (DBSALT003354)
- Synonyms
- Dimebutate sodium / HQK-1001
- UNII
- XKM99SPB5I
- CAS Number
- 3934-02-9
- Weight
- Average: 138.142
Monoisotopic: 138.06567387 - Chemical Formula
- C6H11NaO2
- InChI Key
- OOPXYEYPPHJHSE-UHFFFAOYSA-M
- InChI
- InChI=1S/C6H12O2.Na/c1-4-6(2,3)5(7)8;/h4H2,1-3H3,(H,7,8);/q;+1/p-1
- IUPAC Name
- sodium 2,2-dimethylbutanoate
- SMILES
- [Na+].CCC(C)(C)C([O-])=O
- External Links
- ChemSpider
- 18815385
- ChEMBL
- CHEMBL1650317
- Predicted Properties
Property Value Source logP 2.02 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 40.13 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 41.78 m3·mol-1 Chemaxon Polarizability 12.37 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon