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
-2.7207 0.2536 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5219 -0.6700 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3769 0.1457 -0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9093 -0.2683 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1355 -1.4703 0.3339 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9950 0.7040 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2452 0.3400 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5886 0.6087 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6506 -0.3095 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6350 1.1336 0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6238 -1.1913 0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4524 -1.4011 -0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8044 1.7439 -0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4565 -0.6961 0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0239 1.0773 0.0297 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