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Dimethyl 2-oxoglutarate dimethyl acetal

HCID 54075676
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)CCC(=O)C(OC)(OC)OC
InChIKey
MJMKOUUSLJCXRB-UHFFFAOYSA-N
Molecular formula
C9H16O6
Average molar mass
220.22 g/mol

Names & identifiers

Preferred name
Dimethyl 2-oxoglutarate dimethyl acetal
IUPAC
methyl 5,5,5-trimethoxy-4-oxopentanoate

Names & synonyms

SCHEMBL9666730MJMKOUUSLJCXRB-UHFFFAOYSA-Ndimethyl 2-oxoglutarate dimethyl ketaldimethyl 2-oxoglutarate dimethyl acetal

Database identifiers

PubChem CID
54075676

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
71.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
15
Formal charge
0
Complexity
212

Related reactions

6 records
New reaction record
HRID 94888 reaction equation
HRID 94888As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 232220 reaction equation
HRID 232220As reactantuspto-grants-1989_07
HRID 232224 reaction equation
HRID 232224As reactantuspto-grants-1989_07
HRID 1563157 reaction equation
HRID 1563157As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2352287 reaction equation
HRID 2352287As reactantuspto-grants-1989_10
HRID 2352288 reaction equation
HRID 2352288As reactantuspto-grants-1989_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes