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Dimethyl 2,2-Dipropylmalonate

CAT: 1299-RG-A261877-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261877-01Size:10 mg
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CAS Number
16644-05-6
Synonyms
Dimethyl 2,2-dipropylmalonate
Molecular Formula
C11H20O4
Molecular Weight
216.28
Product Name Synonym
Dimethyl 2,2-dipropylmalonate

Chemical Information

Dimethyl 2,2-dipropylmalonate
CAS Number16644-05-6
PubChem CID589321
IUPAC Namedimethyl 2,2-dipropylpropanedioate
Molecular FormulaC11H20O4
Molecular Weight216.27
XLogP2.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count15
Formal Charge0
Complexity199
SMILES
CCCC(CCC)(C(=O)OC)C(=O)OC
InChI
InChI=1S/C11H20O4/c1-5-7-11(8-6-2,9(12)14-3)10(13)15-4/h5-8H2,1-4H3
InChIKey
ZFMAHACGDXIMSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl 2,2-dipropylmalonate
CAS: 16644-05-6
CID: 589321
Formula: C11H20O4
MW: 216.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.27
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass216.13615911
Monoisotopic Mass216.13615911
Topological Polar Surface Area52.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity199
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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