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
-2.0952 0.2739 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7664 -0.4529 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4071 -0.8676 0.6502 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6483 0.0081 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3687 1.2305 0.4511 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0123 -0.4868 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0291 0.3457 0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2312 0.2094 -1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3827 1.3320 -0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9446 -0.2031 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3869 -1.3851 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9802 0.1149 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2046 -1.5412 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0510 -0.0048 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8803 1.4269 0.3435 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