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
4.7295 0.1297 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2428 0.0115 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4981 -0.1152 1.5113 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6670 0.0382 -0.7375 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2758 -0.0686 -0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 1.0297 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8940 0.9485 -0.4492 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6060 -0.1261 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9833 -1.0332 0.6526 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0487 -0.2139 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6540 0.7746 -0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7630 -1.3760 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8686 0.7974 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1921 0.5952 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1125 -0.8855 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1148 0.0231 -2.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9323 -1.0966 -0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8049 1.9730 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 1.2196 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7309 0.7677 -0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1152 1.6232 -1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8017 -1.0650 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2896 -1.7797 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8224 -2.1713 -0.3768 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