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2-[1-(Ethoxy)ethoxy]-3-(2-thienyl)propenal

HCID 53728655
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(C)OC(C=O)=Cc1cccs1
InChIKey
CMGPRCPFXBGRSW-UHFFFAOYSA-N
Molecular formula
C11H14O3S
Average molar mass
226.29 g/mol
Monoisotopic mass
226.06636548

Names & identifiers

Preferred name
2-[1-(Ethoxy)ethoxy]-3-(2-thienyl)propenal
IUPAC
2-(1-ethoxyethoxy)-3-thiophen-2-ylprop-2-enal

Names & synonyms

SCHEMBL10349965CMGPRCPFXBGRSW-UHFFFAOYSA-N2-[1-(Ethoxy)ethoxy]-3-(2-thienyl)propenal2-[1-(Ethoxy)ethoxy]-3 -(2-thienyl)propenal

Database identifiers

PubChem CID
53728655

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
63.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
15
Formal charge
0
Complexity
228

Related reactions

3 records
New reaction record
HRID 34729 reaction equation
HRID 34729As productuspto-grants-1988_08
HRID 653028 reaction equation
HRID 653028As productuspto-grants-1987_06
HRID 668496 reaction equation
HRID 668496As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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