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
2.2491 -0.0126 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5458 -0.5422 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2849 0.0600 -0.7106 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7254 -0.0344 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4189 -0.6840 1.2959 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0316 0.5720 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9404 0.4486 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1852 1.1026 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3245 -0.3429 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8788 -0.4479 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1627 -0.3848 -1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4622 -1.6470 -0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2823 1.1203 -0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7602 -0.0950 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9342 0.8872 0.9070 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