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
-2.1723 0.0445 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1986 1.1545 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0354 0.5688 -0.3724 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6725 -0.2049 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1123 -0.3401 1.7134 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9559 -0.8257 0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5328 -0.6733 -0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3155 0.0123 1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7699 -0.9576 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1502 0.2526 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0968 1.8271 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5742 1.7665 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4237 -1.4160 1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4830 -1.1331 -1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0620 -0.0757 -1.6602 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