Monomers
Ethyl acrylate
Identifiers
IUPAC name
ethyl prop-2-enoate
InchI
InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
InchI Key
JIGUQPWFLRLWPJ-UHFFFAOYSA-N
SMILES
CCOC(=O)C=C
Canonical SMILES
CCOC(=O)C=C
Isomeric SMILES
CCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.7355
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.2242 0.4889 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6421 -0.7392 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2933 -0.5055 0.7908 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6790 -0.1898 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3801 -0.1009 -1.3411 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0362 0.0342 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9783 0.3382 -0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3259 0.5373 -0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9106 0.4829 -1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 1.3952 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6805 -1.6190 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1933 -0.9893 1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2729 -0.0487 1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9775 0.4988 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7303 0.4168 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
6 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers