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
-2.3034 0.9168 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4758 -0.3326 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0863 -0.0560 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8859 -1.0149 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5583 -2.2129 -0.1556 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2765 -0.6223 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5943 0.6438 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2687 1.5172 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8883 1.4956 1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3448 0.5765 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7874 -0.9705 -0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6606 -0.9355 1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0714 -1.3447 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6409 0.9811 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7881 1.3584 0.2185 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