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
-4.8351 -0.1138 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3627 -0.1309 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8284 -0.5665 0.9822 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5174 0.2937 -1.0591 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1184 0.2691 -0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5389 1.0626 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8615 0.9597 0.1264 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5918 -0.1982 0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9698 -1.2782 0.4889 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0711 -0.1842 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6641 0.9723 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8268 -1.4236 0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2214 -0.0995 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2230 0.8132 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2682 -0.9570 0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7405 0.7212 -1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7069 -0.7549 -0.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7651 2.1415 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8620 0.7474 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1057 1.8717 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7469 1.0162 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2343 -1.4232 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2335 -2.3319 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6826 -1.4065 -0.2659 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