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
-2.7931 -0.1236 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4312 0.4829 -0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3960 -0.3675 -0.0061 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9072 0.0705 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0891 1.2486 -0.5505 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0523 -0.7201 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2535 -0.2232 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5321 0.6010 -0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8422 -1.0096 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0327 -0.4231 0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4390 1.4411 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3249 0.7751 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9119 -1.7084 0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4730 0.7681 -0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1042 -0.8117 0.4832 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