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
-2.2100 0.4922 0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 1.0359 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0894 0.1928 -0.6871 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7144 -0.0853 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4073 0.4732 1.4915 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8641 -0.9812 0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6248 -1.2456 1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6478 1.3066 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 0.0700 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7362 -0.2723 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6428 1.0543 -1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9518 2.0897 -0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0692 -1.4279 -0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4586 -1.9058 1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 -0.7966 2.2798 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