HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Ethyl 6-methoxymethoxymethylnicotinate

HCID 57720708
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1ccc(COCOC)nc1
InChIKey
LLZMRNQIAVJCJO-UHFFFAOYSA-N
Molecular formula
C11H15NO4
Average molar mass
225.24 g/mol

Names & identifiers

Preferred name
Ethyl 6-methoxymethoxymethylnicotinate
IUPAC
ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate

Names & synonyms

SCHEMBL3912705LLZMRNQIAVJCJO-UHFFFAOYSA-NEthyl 6-methoxymethoxymethylnicotinate635323-51-2DB-108950

Database identifiers

PubChem CID
57720708

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
57.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
16
Formal charge
0
Complexity
210

Related reactions

4 records
New reaction record
HRID 159781 reaction equation
HRID 159781As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1223699 reaction equation
HRID 1223699As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1985655 reaction equation
HRID 1985655As productuspto-grants-2009_06
HRID 1985656 reaction equation
HRID 1985656As reactantuspto-grants-2009_06

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes