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
-2.2597 0.8339 0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4579 -0.4569 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1119 -0.0616 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8809 -1.0177 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5914 -2.2441 -0.2503 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2384 -0.5432 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4993 0.7419 -0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9897 1.3026 1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0010 1.5616 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3307 0.6102 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8610 -1.0196 -0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4905 -1.0411 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0129 -1.2692 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5217 1.0986 -0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7577 1.5045 -0.1486 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