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
-2.2537 0.6938 -0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4877 -0.3697 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1189 -0.0957 0.0595 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8917 -0.8460 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5815 -1.8487 1.2892 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2604 -0.4196 0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5587 0.6477 -0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1176 0.2390 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7150 1.4430 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5813 1.2236 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6822 -1.3797 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7676 -0.3760 1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0357 -1.0441 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6062 0.8798 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7900 1.2526 -0.7975 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