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Dimethyl 2-(4-(diethoxymethyl)benzyl)malonate

HCID 21265723
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(OCC)c1ccc(CC(C(=O)OC)C(=O)OC)cc1
InChIKey
UGEATXYAJABCKC-UHFFFAOYSA-N
Molecular formula
C17H24O6
Average molar mass
324.4 g/mol

Names & identifiers

Preferred name
Dimethyl 2-(4-(diethoxymethyl)benzyl)malonate
IUPAC
dimethyl 2-[[4-(diethoxymethyl)phenyl]methyl]propanedioate

Names & synonyms

UGEATXYAJABCKC-UHFFFAOYSA-NDimethyl 2-(4-(diethoxymethyl)benzyl)malonate

Database identifiers

PubChem CID
21265723

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
71.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
23
Formal charge
0
Complexity
340

Related reactions

4 records
New reaction record
HRID 566510 reaction equation
HRID 566510As productuspto-grants-2001_01
HRID 566511 reaction equation
HRID 566511As reactantuspto-grants-2001_01
HRID 668564 reaction equation
HRID 668564As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1222911 reaction equation
HRID 1222911As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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