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
-2.0362 0.6432 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7679 -0.4285 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4739 -0.2203 1.0323 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6204 -0.2568 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3918 -0.4796 -1.0593 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9831 -0.0536 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9696 -0.0992 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8176 1.3383 -0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1256 1.2518 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2946 0.2083 -1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5503 -0.3802 1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8169 -1.4218 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1636 0.1336 1.6774 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7826 -0.2861 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9719 0.0508 0.1248 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