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
-2.2534 0.3597 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3813 -0.6724 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0194 -0.5501 0.2051 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 0.5163 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1816 1.4540 1.1596 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1851 0.5105 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7357 -0.5106 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2999 -0.0683 -0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3408 1.2777 0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0349 0.5967 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7331 -1.6723 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5442 -0.6391 1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8030 1.3409 0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7864 -0.5654 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1442 -1.3775 -0.6601 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