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
2.6966 0.4470 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5252 -0.3413 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3542 0.2400 -0.0528 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8896 -0.2378 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9051 -1.2223 1.0837 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0949 0.3703 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 -0.1054 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7980 1.4015 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6057 -0.1682 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4899 0.7254 -1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6170 -1.4227 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6088 -0.2426 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0187 1.2051 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3163 -0.9442 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2067 0.2951 -0.2392 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