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
-2.2123 -0.5949 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6665 0.7767 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3536 0.9648 0.3419 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7231 0.1844 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4517 -0.7081 -0.9316 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0771 0.3875 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0281 -0.3950 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3266 -0.5289 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7701 -1.3224 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1070 -0.8909 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3150 1.5049 0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 0.9163 -1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3409 1.1410 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8234 -1.1707 -0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0358 -0.2648 0.2937 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