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
4.7866 0.0639 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2984 0.0115 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7592 -0.1457 1.0871 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4786 0.1281 -1.1350 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0940 0.0734 -0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4827 1.1296 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9119 0.9486 -0.0878 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5762 -0.1462 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -1.0861 0.8944 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0383 -0.2327 0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7967 0.7192 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6678 -1.4444 0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2632 -0.8422 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 0.9318 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1130 0.1843 -1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6828 0.2428 -2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7161 -0.9320 -0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8815 1.1732 0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6931 2.1221 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8573 0.6906 -0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3316 1.6209 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1132 -2.3170 0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5019 -1.3934 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7430 -1.5002 0.8146 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