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
-2.1992 0.2312 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3340 -1.0165 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 -0.6970 -0.4565 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6484 0.2913 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0018 0.8420 1.2051 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0312 0.6778 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7347 0.0930 -0.9394 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2072 -0.0566 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6655 0.8946 -1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2770 0.7224 0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4218 -1.3943 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7599 -1.7804 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4563 1.4486 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7368 0.4170 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2517 -0.6731 -1.5281 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