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
-3.5548 -1.3043 0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8828 -0.0270 0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0807 0.3830 -0.6836 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0684 0.6848 1.3199 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4470 1.8686 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5044 1.6107 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5071 0.6831 0.1527 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4975 0.2788 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4991 0.7422 -1.8805 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 -0.6654 -0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5645 -1.1750 0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5885 -1.0786 -1.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5739 -1.0257 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0228 -1.7244 1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6192 -2.0236 0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1867 2.6169 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9179 2.3292 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0585 1.3108 -1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0021 2.6062 -0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3263 -1.8615 1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8146 -0.8882 1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2241 -1.8042 -2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8487 -0.1475 -1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5168 -1.3888 -0.7952 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