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
-4.9074 -0.2639 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5095 0.0639 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1916 1.1229 0.6437 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5136 -0.8392 -0.2528 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1744 -0.5700 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6020 0.6556 -0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7185 0.8317 -0.1365 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7430 -0.0436 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5131 -1.0977 -1.0273 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1030 0.1969 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3985 1.2869 0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1585 -0.7874 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9635 -0.4520 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5765 0.5931 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1886 -1.1831 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5956 -1.4504 -0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0317 -0.5695 1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1471 1.5938 -0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6438 0.5849 -1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6515 2.0353 0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4054 1.4733 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1820 -0.3763 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 -1.1144 -1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0735 -1.6906 0.4301 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