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
-2.0851 0.6948 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5501 -0.6754 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1570 -0.5357 0.2277 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6943 -0.0530 -0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2437 0.2668 -1.8558 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1087 0.0861 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6424 -0.2436 0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2480 1.4323 -0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6804 1.0486 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6999 0.6800 -1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0662 -1.0589 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7106 -1.3572 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7655 0.4659 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0394 -0.6268 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7034 -0.1240 0.8710 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