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Diethyl glutarate

CAT: 1596-AR-M02543-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02543-02Size:25 Units
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CAS Number
818-38-2
Synonyms
Diethyl Pentanedioate; NSC 8890; 1,5-Diethyl Ester Pentanedioic Acid
Molecular Formula
C9H16O4
Molecular Weight
188.22
API Name
Glutaric Acid

Chemical Information

Diethyl glutarate

Diethyl glutarate is a diester obtained by the formal condensation of carboxy groups of glutaric acid with two molecules of ethanol respectively. It has a role as a metabolite. It is functionally related to a glutaric acid.

CAS Number818-38-2
PubChem CID13163
IUPAC Namediethyl pentanedioate
Molecular FormulaC9H16O4
Molecular Weight188.22
XLogP1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity147
SMILES
CCOC(=O)CCCC(=O)OCC
InChI
InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3
InChIKey
OUWSNHWQZPEFEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl glutarate
CAS: 818-38-2
CID: 13163
Formula: C9H16O4
MW: 188.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.22
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass188.10485899
Monoisotopic Mass188.10485899
Topological Polar Surface Area52.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes