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
-3.7089 1.5416 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0411 0.3304 -0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4503 -0.1411 -1.3940 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9747 -0.2838 0.3418 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3951 -1.4146 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2604 -1.9760 0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8018 -1.0658 0.7165 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5106 -0.5017 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1632 -0.8395 -1.4879 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6118 0.4428 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9633 0.7867 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3572 1.0346 -1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5262 1.8509 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9676 2.3353 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2033 1.2447 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1948 -2.2128 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1254 -1.2649 -1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6188 -2.2605 1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0785 -2.9090 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4278 0.3617 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7658 1.4759 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4528 0.8318 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2306 2.1176 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1034 0.5157 -2.1960 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