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
-2.7324 0.2246 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4805 -0.6286 -0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3811 0.2293 -0.0151 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9309 -0.2048 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 -1.4500 -0.3328 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0453 0.7085 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2958 0.3252 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2553 -0.1058 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4085 0.1535 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4929 1.2908 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4697 -1.4430 0.6503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5465 -1.1407 -1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8354 1.7509 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0968 1.0202 -0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4888 -0.7302 -0.2900 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