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
-3.4306 -1.5425 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9989 -0.1220 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6930 0.7360 0.7750 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8293 0.3324 -0.4376 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3903 1.6581 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1126 1.9704 -1.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0043 1.2748 -0.5986 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2046 -0.0728 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.8123 -1.1523 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4316 -0.7075 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5923 -2.0126 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5102 0.1005 0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4543 -1.6111 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4031 -1.9108 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7947 -2.2193 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2068 2.3323 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2651 1.8923 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 3.0717 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1860 1.9173 -2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8138 -2.6158 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4578 -2.5237 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4673 -0.1122 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6052 -0.2065 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2552 1.1832 0.5154 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