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
-2.2030 0.3804 -0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6179 -0.7402 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 -1.0923 0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6729 -0.1171 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3754 1.0367 0.5423 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0358 -0.4070 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9635 0.5107 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8946 1.3844 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8700 0.3282 -1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3240 0.3101 -0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5117 -0.3584 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2916 -1.6100 0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2941 -1.4189 -0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7172 1.4937 0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9681 0.2997 -0.5130 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