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
2.3619 0.7186 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4363 -0.2863 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0754 0.0496 0.1795 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8775 -0.8052 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5059 -1.8310 1.3404 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3139 -0.5220 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6837 0.5550 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4237 0.6480 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3953 0.4835 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1282 1.7350 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6318 -0.2439 1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6818 -1.3050 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0329 -1.2019 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9817 1.2539 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7388 0.7516 -0.1932 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