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
-2.2430 0.0922 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2736 -1.0033 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0642 -0.5254 0.5919 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6870 0.1576 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0166 0.3147 -1.5082 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0419 0.6637 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6911 0.4696 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8155 1.0801 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5244 0.1589 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2065 -0.0047 0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5550 -1.6587 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2696 -1.6840 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4695 1.1808 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7041 0.8148 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2132 -0.0564 1.6052 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