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
-4.8018 0.9987 0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4794 0.6917 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1908 1.2650 -0.9152 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5673 -0.1782 0.7133 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3012 -0.5081 0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4495 0.7085 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8393 0.5141 -0.3661 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7544 -0.3328 0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3650 -0.9294 1.2687 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1090 -0.5293 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 0.1137 -1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0739 -1.4378 0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9960 2.0775 0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7207 0.9027 1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6129 0.3527 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3737 -0.9154 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8908 -1.2942 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9669 1.4878 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4392 1.1362 1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7620 0.7835 -1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4593 -0.0291 -1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5040 -2.1890 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7202 -1.8655 -0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7264 -0.8231 1.0359 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