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
2.2347 1.1476 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4731 -0.0479 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0718 0.0810 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7304 -0.9608 0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1844 -1.9883 0.8376 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1886 -0.9217 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8130 0.1083 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1483 0.8440 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6394 1.7697 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6552 1.8292 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8370 -0.9353 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7443 -0.2438 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7731 -1.7653 0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8847 0.1300 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2297 0.9534 -0.6111 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