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Diethyl Butylethylmalonate-d5

CAT: 0572-TRC-D443877-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D443877-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145395-63-7
Synonyms
Butylethyl-d5-propanedioic Acid Diethyl Ester; 2-Butyl-2-ethylpropanedioic Acid 1,3-Diethyl Ester-d5; Butylethylmalonic Acid Diethyl Ester-d5; Butylethylpropanedioic Acid Diethyl Ester-d5; Diethyl Ethylbutylmalonate-d5; NSC 44910-d5; NSC 6791-d5
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])C([2H])([2H])C(CCCC)(C(=O)OCC)C(=O)OCC
Molecular Formula
C13H19D5O4
Molecular Weight
249.36
Shipping Conditions
Room Temperature

Chemical Information

Diethyl Butylethylmalonate-d5
CAS Number145395-63-7
PubChem CID10264089
IUPAC Namediethyl 2-butyl-2-(1,1,2,2,2-pentadeuterioethyl)propanedioate
Molecular FormulaC13H24O4
Molecular Weight249.36
XLogP3.6
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count17
Formal Charge0
Complexity230
SMILES
[2H]C([2H])([2H])C([2H])([2H])C(CCCC)(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C13H24O4/c1-5-9-10-13(6-2,11(14)16-7-3)12(15)17-8-4/h5-10H2,1-4H3/i2D3,6D2
InChIKey
OPFFBDXXUZAUAK-QKLSXCJMSA-N
Chemical Structure
2D Structure
2D structure of Diethyl Butylethylmalonate-d5
CAS: 145395-63-7
CID: 10264089
Formula: C13H24O4
MW: 249.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.36
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass249.19884297
Monoisotopic Mass249.19884297
Topological Polar Surface Area52.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity230
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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Alternative Products

CatalogName
446824-01Diethyl Butylethylmalonate-d5
HY-W751415Diethyl cromoglycate-d5
446835Diethyl Ethyl-d5-phenylmalonate
165861Pemetrexed-d5 Diethyl Ester
sc-218204Diethyl 4-Ethoxyphenyl- (ethyl-d5) malonate
446837-01Diethyl Ethyl (1-methylbutyl) malonate-d5
446788-01Diethyl 2-Ethyl-2-acetamidomalonate-d5
MBS6015823-01Diethyl 4-Ethoxyphenyl-(ethyl-d5) malonate
HY-W699891-01Diethyl 2- (4-ethoxyphenyl) -2-ethylmalonate-d5
166504Sec-Butylethyl-d5-malonic Acid Diethyl Ester

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