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
-2.8044 -0.0054 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4765 0.0057 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3880 -0.0064 -0.3121 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8916 0.0036 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0226 0.0222 1.5139 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0930 -0.0072 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2754 0.0021 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3449 0.9267 0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4027 -0.8459 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7900 -0.1445 -1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3192 -0.8573 1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3427 0.9179 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9730 -0.0231 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1516 -0.0064 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4612 0.0181 1.0655 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