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
-3.4797 -1.2587 -1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8924 -0.3419 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2164 -0.4088 1.0300 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9647 0.6382 -0.5215 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3955 1.5206 0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6420 0.8299 1.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4256 0.0568 1.0004 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5042 0.5399 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5481 1.7760 0.0524 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5492 -0.3535 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -1.6403 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6831 0.2111 -0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2232 -1.9012 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7266 -1.8967 -1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0334 -0.7202 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7160 2.2004 -0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1654 2.1913 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2731 0.2274 2.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1724 1.6215 2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6314 -2.0651 0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2506 -2.2915 -0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4283 -0.5944 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1255 1.0188 -0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3050 0.6405 -1.8851 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