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ESP 15228

CAT: 0127-BUP05180-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05180-03Size:10 mg
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CAS Number
413624-71-2
Synonyms
2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid
Purity
=98%
Smiles
CC(C)(CCCCCC(=O)CCCCCC(C)(C)C(O)=O)C(O)=O

Chemical Information

2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid

a hypolipidemic agent; structure in first source

CAS Number413624-71-2
PubChem CID11336822
IUPAC Name2,2,14,14-tetramethyl-8-oxopentadecanedioic acid
Molecular FormulaC19H34O5
Molecular Weight342.5
XLogP4.3
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count24
Formal Charge0
Complexity385
SMILES
CC(C)(CCCCCC(=O)CCCCCC(C)(C)C(=O)O)C(=O)O
InChI
InChI=1S/C19H34O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h5-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKey
NHVXRVOYVVPVDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid
CAS: 413624-71-2
CID: 11336822
Formula: C19H34O5
MW: 342.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight342.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass342.24062418
Monoisotopic Mass342.24062418
Topological Polar Surface Area91.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity385
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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