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
4.8572 0.5148 0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4657 0.0135 0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0049 -0.9734 0.7525 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7223 0.6775 -0.8149 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4037 0.3082 -1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4977 0.4014 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8379 0.0254 -0.3244 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8661 0.0268 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5417 0.3822 1.7853 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2264 -0.3450 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1503 -0.3199 1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5573 -0.7491 -1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4930 -0.2529 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2930 0.8862 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7462 1.3854 1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0496 0.9303 -1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3986 -0.7653 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7818 -0.3130 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5296 1.4109 0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1920 -0.5977 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9733 -0.0342 2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6446 -1.0884 -1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2677 -1.5969 -1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9860 0.0733 -1.6971 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