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
-2.2956 0.2631 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6125 -0.7764 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2648 -0.9891 -0.0879 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7112 -0.0263 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4021 1.1324 -0.4762 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1041 -0.3208 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0038 0.6208 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3082 1.2376 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3670 -0.0008 0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7365 0.4334 1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1397 -1.7555 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7282 -0.5553 -1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3890 -1.3104 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8212 1.6406 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0210 0.4066 0.5713 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