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
-2.7499 0.1852 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4749 -0.6155 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4032 0.2977 0.0508 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9058 -0.1146 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0851 -1.3653 -0.2415 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0493 0.7707 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2656 0.3024 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4705 -0.1031 -0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1804 -0.0430 1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5782 1.2647 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3954 -1.4263 0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5044 -1.1438 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8901 1.8213 0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1472 0.9239 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4139 -0.7544 -0.2621 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