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
4.9555 -0.0107 0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5566 0.2914 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2176 1.4234 -0.1765 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5736 -0.6830 0.3438 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2367 -0.5124 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5384 0.5602 0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8089 0.7110 0.3786 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7754 -0.2584 0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4624 -1.3911 0.9106 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1339 0.0398 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4418 1.2334 -0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2006 -0.9893 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9853 -0.7796 1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4199 0.9032 1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5745 -0.3862 -0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -0.3010 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7247 -1.4804 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0398 1.5433 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5472 0.3509 1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7000 2.0168 -0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4419 1.4746 -0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8527 -0.9667 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7978 -2.0200 0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8597 -0.7690 0.9398 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