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
-2.1376 0.3175 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5994 -0.9850 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1742 -0.9972 -0.2791 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6321 -0.0799 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0874 0.7958 1.0921 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0790 -0.1267 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 0.7285 0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0390 1.0825 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6018 0.6988 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2077 0.1769 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 -1.1092 0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0058 -1.7957 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5126 -0.8908 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4965 1.5062 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9613 0.6782 0.6773 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