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
-2.5895 0.6652 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5471 -0.1292 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2914 0.3229 0.3626 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8276 -0.2439 -0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6405 -1.1379 -1.0618 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1933 0.1376 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1775 -0.4781 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3472 1.0389 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 1.5139 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0929 0.0271 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6708 0.0076 -1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7354 -1.1943 0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3725 0.9209 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9943 -1.2415 -1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1895 -0.2091 -0.2768 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