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
-1.8757 0.0303 1.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9297 -1.0375 0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1989 -0.5408 0.0168 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2182 0.2334 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8906 0.5319 -1.6293 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4219 0.7306 -1.7563 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6379 0.4672 -1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5040 -0.3182 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5666 0.2920 0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3693 0.9500 1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4884 -1.7965 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5677 -1.5726 1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3818 1.3388 -2.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7933 -0.1389 -0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5401 0.8304 -1.7520 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