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
-2.1559 -0.5424 0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6234 0.8539 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4063 0.8153 -0.6364 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6805 0.1841 -0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5762 -0.3585 1.0291 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9365 0.1482 -0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9772 -0.4597 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9287 -1.1496 -0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7587 -0.9873 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2584 -0.4986 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5615 1.4583 0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3674 1.3388 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0211 0.6217 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9065 -0.4729 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9623 -0.9513 0.7085 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