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
-4.9649 -0.2673 0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4769 -0.2327 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8527 -1.2994 0.8559 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7668 0.9503 0.6144 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3873 1.0413 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5836 0.2878 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7916 0.4564 0.0517 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7969 -0.1082 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5150 -0.8062 -1.6993 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1827 0.1039 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4903 0.8361 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2577 -0.5027 -1.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2300 -1.2975 0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5178 0.1034 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2107 0.3895 -0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1209 2.1295 0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0702 0.7681 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8994 -0.7551 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7833 0.7721 -1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6827 1.2795 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5316 0.9960 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1348 -0.7852 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8977 -1.4148 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5834 0.2541 -1.9314 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