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
2.1119 -0.7302 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1947 -0.5461 1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1220 -0.2538 0.6259 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4363 0.8519 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5090 1.6136 -0.4570 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8220 1.0458 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7431 0.1973 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7342 0.1397 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4551 -0.9233 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7316 -1.6526 -0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1331 -1.5395 1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5909 0.1743 1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0890 1.9134 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4889 -0.6547 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7594 0.3642 -0.4251 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