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
4.8941 0.1716 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4784 -0.2586 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1594 -1.4413 -0.0760 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4872 0.6231 0.5188 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1119 0.3405 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5560 -0.1336 -0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8233 -0.4039 -0.5972 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7869 0.4968 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4678 1.6822 -0.0061 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1752 0.1071 -0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1158 0.9849 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5482 -1.2993 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0964 0.8178 -0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6058 -0.6717 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1030 0.7835 1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6180 1.2720 0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8988 -0.4234 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0820 -1.0465 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 0.6678 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8731 2.0139 0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1569 0.7156 0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6279 -1.4497 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0174 -1.5830 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1731 -1.9657 0.3938 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