U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H15O2.Na
Molecular Weight 166.1933
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 2,2-diethylbutanoate

SMILES

[Na+].CCC(CC)(CC)C([O-])=O

InChI

InChIKey=WAVRPRRUNVFYIA-UHFFFAOYSA-M
InChI=1S/C8H16O2.Na/c1-4-8(5-2,6-3)7(9)10;/h4-6H2,1-3H3,(H,9,10);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Sodium 2,2-diethylbutanoate
Systematic Name English
Butanoic acid, 2,2-diethyl-, sodium salt (1:1)
Preferred Name English
Butyric acid, ?,?-diethyl-, sodium salt
Common Name English
Code System Code Type Description
FDA UNII
6S9FS446ZR
Created by admin on Wed Apr 02 15:25:53 GMT 2025 , Edited by admin on Wed Apr 02 15:25:53 GMT 2025
PRIMARY
CAS
861777-38-0
Created by admin on Wed Apr 02 15:25:53 GMT 2025 , Edited by admin on Wed Apr 02 15:25:53 GMT 2025
PRIMARY
PUBCHEM
87726810
Created by admin on Wed Apr 02 15:25:53 GMT 2025 , Edited by admin on Wed Apr 02 15:25:53 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of 2,2-DIETHYLBUTANOIC ACID
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966