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
-2.6870 0.5742 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5419 -0.3414 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3472 0.3088 0.1231 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8728 -0.2935 -0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8893 -1.4188 -0.6365 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0861 0.3785 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2453 -0.2058 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4702 0.6139 -0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0843 0.2087 1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3182 1.6322 0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5769 -1.3078 0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5672 -0.5896 -1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0507 1.3580 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1975 0.2587 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2511 -1.1762 -0.3866 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