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
4.8004 -0.2524 0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3082 -0.3139 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6618 -0.4998 1.4643 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6521 -0.1627 -0.7626 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2776 -0.1878 -0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6214 0.9177 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7839 0.9506 -0.3793 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6388 -0.0774 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1675 -1.1264 0.4449 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0662 0.0716 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5669 1.1870 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0428 -1.0060 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0928 0.6622 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2138 -0.1918 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2239 -1.1320 0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1141 0.0364 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8361 -1.1906 -0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9966 1.8815 -0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9176 0.8669 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8951 1.9974 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6041 1.3371 -0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2107 -1.6567 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0168 -0.5423 0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7236 -1.5685 0.9773 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