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
-2.1432 -0.5638 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5932 0.7029 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2237 0.5217 0.9697 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6771 0.2290 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1886 0.1368 -1.2089 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0996 0.0317 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 -0.2428 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6954 -0.3779 -0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8743 -1.0357 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3123 -1.2567 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1773 0.9461 1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 1.5097 -0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4852 0.1140 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9316 -0.3881 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5008 -0.3270 -1.8090 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