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
-2.5622 1.0101 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5770 -0.1385 0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2744 0.4157 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8191 -0.4359 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6123 -1.6544 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1775 0.1047 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1909 -0.7176 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3431 0.9386 -0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0428 1.9935 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1151 0.9775 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6367 -0.7293 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 -0.8340 -0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3180 1.1732 -0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 -1.7725 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1818 -0.3311 -0.4113 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