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
4.7657 0.3108 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2913 0.1488 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7214 0.1361 -1.2512 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5416 0.0088 0.9974 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1378 -0.1538 1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4043 0.9853 0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9802 0.7894 0.4579 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5583 -0.2800 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8631 -1.1156 -0.8768 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9955 -0.5168 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5096 -1.5395 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8416 0.4263 0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.7054 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2693 -0.6870 -0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1846 0.9608 -0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8711 -0.2091 2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8750 -1.1064 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6266 1.9610 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6663 1.0902 -0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5881 -1.7294 -0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9287 -2.2402 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1133 1.2512 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2364 0.8649 1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7400 -0.0613 1.0277 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