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
4.8441 -0.0855 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3617 0.0953 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7566 0.5388 -1.3418 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6110 -0.2022 0.7633 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2341 -0.0701 0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4357 -0.8720 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9346 -0.7822 0.0316 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6236 0.4023 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9355 1.4178 -0.3799 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0813 0.4457 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7601 1.5740 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8235 -0.8077 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2026 -0.6048 0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0570 -0.7252 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3310 0.8925 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9835 -0.4459 1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0009 1.0104 0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7146 -1.9548 0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7199 -0.5775 -1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2624 2.5057 -0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8329 1.5910 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6863 -1.5566 -0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4192 -1.1995 1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8932 -0.5895 0.4537 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