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
-2.2143 0.9218 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4849 -0.3682 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1131 -0.0566 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8400 -1.0167 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4568 -2.1995 -0.4631 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2338 -0.6233 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5724 0.6255 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1498 1.0656 1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7707 1.7803 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2893 0.8066 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8020 -0.7011 -0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6959 -1.1381 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9783 -1.3726 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8318 1.3769 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6070 0.8992 -0.2184 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