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
-2.2547 -0.1751 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3261 0.6003 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0051 0.6222 -0.1803 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7128 -0.5605 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0844 -1.6200 -0.3102 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0877 -0.5891 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7549 0.4964 0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1809 -1.2613 0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1998 0.1866 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3016 0.0926 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6753 1.6671 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 0.1670 -1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 -1.5390 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7668 0.4287 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3247 1.4840 0.6888 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