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
3.4010 1.3366 1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8395 0.0827 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4008 -0.3795 -0.5622 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7573 -0.5399 0.9882 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1852 -1.7233 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6913 -1.5195 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2855 -0.5093 -0.9722 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4981 -0.5322 -0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7820 -1.5037 0.4095 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4361 0.5973 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1150 1.6111 -1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7378 0.5844 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1275 1.3589 2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5003 1.3113 0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0375 2.2402 0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9962 -2.5133 0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3466 -2.0860 1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2753 -2.4680 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5183 -1.2202 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1780 1.6173 -1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7852 2.4347 -1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5407 0.0876 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6843 0.0974 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0344 1.6355 0.4325 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