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
4.8040 0.2817 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3226 0.0799 -0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8629 -0.3652 0.7295 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4757 0.3721 -1.3652 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0844 0.2261 -1.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4680 1.0787 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9381 0.9720 -0.2784 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5969 -0.2084 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9205 -1.2439 0.1997 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0336 -0.3407 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8043 0.6979 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6435 -1.6443 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1659 1.0554 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 -0.7053 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0645 0.6528 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7586 0.6118 -2.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7470 -0.8117 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7135 2.1727 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8972 0.8421 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4224 1.6959 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8892 0.6235 -0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9560 -2.0904 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5206 -1.5826 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9340 -2.3704 0.7542 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