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
2.3571 0.7218 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4785 -0.2621 -0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1218 0.0003 -0.0127 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9185 -0.7551 -0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5816 -1.6568 -1.3621 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3073 -0.5144 -0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6844 0.4232 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2976 0.8952 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6578 0.3111 1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7810 1.6837 0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7949 -1.2779 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6625 -0.0891 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0807 -1.1192 -0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8811 1.0342 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6976 0.6051 0.9076 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