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
5.2370 0.1204 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8896 -0.3391 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8320 -1.1428 -1.5492 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7149 0.0579 0.0214 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4366 -0.4124 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3501 0.1993 0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8812 -0.2836 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0591 0.1232 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 0.9222 1.5304 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3447 -0.3712 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4410 -1.2149 -0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5748 0.1153 0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8885 0.3901 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6998 -0.7281 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1303 0.9734 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2760 -0.1337 -1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4288 -1.5125 -0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 -0.1146 1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4349 1.3108 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3770 -1.5924 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5385 -1.5398 -1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4655 -0.0111 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4111 1.1830 1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7149 -0.4440 1.7316 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