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
2.1970 -1.1494 3.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1931 -0.1285 1.9478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2264 1.0947 2.2266 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1528 -0.4692 0.5890 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1486 0.4791 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9824 1.3805 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2550 0.8924 -0.8041 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0521 0.0574 -0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6872 -0.4177 0.9629 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3723 -0.2734 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1267 -1.0987 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8113 0.2948 -2.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7883 -0.8406 3.9037 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1678 -1.3642 3.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5714 -2.0913 2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2952 -0.0895 -1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1089 1.0943 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9439 2.0986 0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2294 2.1010 -1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8265 -1.5213 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1085 -1.3872 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7204 0.9214 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0577 -0.5003 -2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9876 0.9173 -2.4046 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