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
4.8269 -0.3202 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3421 -0.3881 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6882 -1.1645 1.1438 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6068 0.4106 -0.4387 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2036 0.3848 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 0.7220 0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9028 0.6646 0.4967 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6238 -0.4242 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0542 -1.5025 -0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0600 -0.2862 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7546 -1.3341 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7523 0.9995 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1963 -0.2159 1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1831 0.5971 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3113 -1.1775 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8518 -0.5623 -0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9425 1.1745 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7248 0.0313 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6899 1.7927 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2746 -2.2834 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8201 -1.2350 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6428 0.9003 0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0680 1.7545 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1050 1.4621 -0.7954 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