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
4.9221 -0.4839 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4780 -0.2200 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1099 -0.2062 1.5013 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5417 0.0093 -0.6667 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1729 0.2627 -0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4797 -0.8373 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8638 -0.5151 0.5048 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7729 -0.2990 -0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3760 -0.4013 -1.6939 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1677 0.0417 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9871 0.2361 -1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6410 0.1636 1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2688 -1.2986 0.6229 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9934 -0.7273 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4680 0.4558 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0134 1.2084 0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7228 0.3957 -1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9031 -1.0162 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5891 -1.8074 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6536 0.1500 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0283 0.4903 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6862 -0.1807 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4941 1.1884 1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9922 -0.5123 1.8005 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