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
3.5564 1.0604 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8447 -0.1319 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9562 -1.2312 -1.0636 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0589 -0.0267 0.6278 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3685 -1.1216 1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3614 -1.7413 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6593 -0.8755 -0.1978 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5528 -0.2769 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4422 -0.5264 1.8989 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6065 0.6291 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4098 1.1545 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6864 0.8849 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0094 2.0015 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5643 1.0891 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6115 1.0359 -2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8326 -0.7666 2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 -1.9081 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8852 -2.1662 -0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0549 -2.6374 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2143 1.8319 0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3032 0.9325 2.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 0.9637 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2252 0.0045 -1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2902 1.8219 -1.4077 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