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
-2.1786 0.4974 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4637 -0.3905 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0848 -0.1807 -0.6914 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7049 -0.3708 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1318 -0.7581 1.4963 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1398 -0.1385 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6913 0.2616 -0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7619 -0.1104 0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4609 1.0947 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8024 1.2138 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8215 -0.2180 -1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7110 -1.4594 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7130 -0.2993 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7576 0.4294 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1463 0.4288 -1.6367 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