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Bempedoic Acid Impurity 4

CAT: 1299-RM-B051304-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B051304-02Size:25 mg
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CAS Number
738606-43-4
Synonyms
Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate
Molecular Formula
C23H42O5
Molecular Weight
398.58
Target Alternative Name
Bempedoic Acid
Product Name Synonym
Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate

Chemical Information

1,15-Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate
CAS Number738606-43-4
PubChem CID11223278
IUPAC Namediethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate
Molecular FormulaC23H42O5
Molecular Weight398.6
XLogP5.7
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count18
Heavy Atom Count28
Formal Charge0
Complexity437
SMILES
CCOC(=O)C(C)(C)CCCCCC(=O)CCCCCC(C)(C)C(=O)OCC
InChI
InChI=1S/C23H42O5/c1-7-27-20(25)22(3,4)17-13-9-11-15-19(24)16-12-10-14-18-23(5,6)21(26)28-8-2/h7-18H2,1-6H3
InChIKey
LDURYVDWYUCWGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,15-Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate
CAS: 738606-43-4
CID: 11223278
Formula: C23H42O5
MW: 398.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.6
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count18
Exact Mass398.30322444
Monoisotopic Mass398.30322444
Topological Polar Surface Area69.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity437
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

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