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
-2.2381 -0.0690 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2298 1.0389 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0580 0.6443 -0.1698 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6912 -0.4034 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1479 -1.0198 1.4461 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0132 -0.8090 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5819 -0.1796 -0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2511 0.3921 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 -0.6616 -0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1351 -0.7250 1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5372 1.9329 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1919 1.3318 1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5387 -1.6184 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1108 0.6374 -1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5631 -0.4917 -1.2648 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