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
5.0185 -0.4700 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5610 -0.8280 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1684 -1.8735 1.1737 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5913 -0.0381 -0.0312 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1988 -0.3665 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4789 0.7234 -0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9056 0.5567 -0.7780 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7415 0.4998 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2470 0.6038 1.4564 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1812 0.3198 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6538 0.2156 -1.1286 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1212 0.2528 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2802 -0.3440 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5864 -1.3253 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2460 0.4121 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8344 -0.4714 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0811 -1.3447 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7734 1.7220 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8511 0.6659 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0107 0.2592 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7125 0.0843 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7996 1.0198 1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1537 0.4664 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1426 -0.7400 1.7196 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