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
-2.1468 0.3663 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6481 0.2979 1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4499 -0.4645 1.0393 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6555 -0.0562 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5145 1.0130 -0.3573 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8913 -0.8299 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9115 -0.4183 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2528 0.3365 -0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7605 1.3139 -0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6827 -0.4530 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3672 1.3178 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3687 -0.1652 1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9868 -1.7406 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9008 0.4851 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8164 -1.0026 -0.4501 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