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
-2.7427 0.3791 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4873 -0.4300 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4060 0.3084 0.0774 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 -0.2065 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0072 -1.3141 -0.6003 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0446 0.5144 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2423 -0.0010 0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0242 0.1926 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4579 1.4699 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5481 0.1767 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3605 -0.7065 -1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5446 -1.4015 0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9136 1.4680 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3741 -0.9420 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1154 0.4925 0.7709 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