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
-2.1953 0.2996 -0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.0251 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0465 0.1215 0.6048 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7183 -0.6287 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1583 -1.4864 -0.9627 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 -0.4232 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7371 0.4809 0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5685 0.4466 -1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8879 1.1633 -0.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8475 -0.5978 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7303 0.8421 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7538 -0.9163 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7433 -1.0298 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 1.0913 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8068 0.6119 0.4431 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