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
4.1781 0.0739 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2169 -1.0284 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5316 -2.2428 -0.0598 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9481 -0.7377 0.5521 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0440 -1.8008 0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2525 -1.1755 1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7446 -0.3784 0.3103 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9259 0.3458 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5435 0.2637 1.4996 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4227 1.1704 -0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7626 1.2439 -1.8294 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6923 1.9088 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9803 0.1645 0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6000 1.0148 -0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6366 -0.1439 -1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4834 -2.4825 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8851 -2.3921 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9320 -2.0084 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0972 -0.5966 2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1440 1.8468 -2.6201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8523 0.7045 -1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3943 1.2953 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5443 2.9121 -0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1959 2.0423 -1.4890 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