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
-2.6751 -0.5418 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4558 -0.3813 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3744 -0.0536 0.3014 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8737 0.1555 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 0.0400 -1.4867 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9951 0.4932 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1755 0.6871 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7916 0.4555 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3742 -1.2476 1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5639 -0.8566 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2869 -1.3227 -1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6617 0.4653 -1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8265 0.5746 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2830 0.5911 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0437 0.9413 0.6875 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