Monomers
2-Acetoxyethyl methacrylate
Identifiers
IUPAC name
2-acetyloxyethyl 2-methylprop-2-enoate
InchI
InChI=1S/C8H12O4/c1-6(2)8(10)12-5-4-11-7(3)9/h1,4-5H2,2-3H3
InchI Key
ZTJNPDLOIVDEEL-UHFFFAOYSA-N
SMILES
CC(=O)OCCOC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OCCOC(=O)C
Isomeric SMILES
CC(=C)C(=O)OCCOC(=O)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H12O4
Heavy Atom Count
12
Molecular Weight
172.18
Exact Molecular Weight
172.0736
Valence Electrons
68
Radical Electrons
0
tPSA
52.6
MolLogP
0.6688
H Bond Acceptors
4
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
24 23 0 0 0 0 0 0 0 0999 V2000
5.0146 -0.0091 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6177 -0.5406 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3898 -1.7616 0.0183 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5105 0.2822 0.3783 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1884 -0.2201 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2598 0.9580 0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0916 0.6178 0.4357 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7317 0.0607 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0703 -0.1784 -1.6749 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1495 -0.2393 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7510 -0.7748 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9066 0.0535 0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7179 -0.7911 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1436 0.8328 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1791 0.4310 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9704 -0.9866 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9852 -0.6927 -0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5410 1.7716 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4735 1.3790 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7940 -0.9986 -1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2085 -0.9899 -2.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6792 -0.6989 1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9983 0.0929 0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6108 1.0906 1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 2 3
10 12 1 0
1 13 1 0
1 14 1 0
1 15 1 0
5 16 1 0
5 17 1 0
6 18 1 0
6 19 1 0
11 20 1 0
11 21 1 0
12 22 1 0
12 23 1 0
12 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers