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
-2.2677 0.2305 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5886 -0.6855 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2630 -1.0175 0.5271 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7080 -0.0480 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3768 1.1447 0.5561 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0725 -0.3337 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9947 0.5781 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0007 1.2889 0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3683 0.1258 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0110 0.0104 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5625 -0.2156 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1720 -1.6203 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3134 -1.3785 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7804 1.6387 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9879 0.2821 -0.5137 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