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
4.7941 0.1494 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3287 0.1133 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5859 0.4093 -1.4215 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6468 -0.2340 0.6592 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -0.2618 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4792 -1.1313 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8992 -1.0112 0.1938 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6368 0.1515 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0785 1.1912 -0.3249 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0432 0.1532 0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6432 -0.9403 0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8104 1.4108 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1328 -0.3491 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3265 -0.2932 0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1005 1.2327 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9229 0.7916 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0626 -0.5695 1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5834 -1.0185 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7235 -2.2188 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1187 -1.8788 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7007 -0.9626 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1228 1.7752 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2056 2.2114 -0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7001 1.2793 -0.4339 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