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
-4.9146 0.4399 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4779 0.0341 0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8833 0.0835 1.7021 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8647 -0.3789 -0.5750 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5319 -0.7651 -0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5596 0.3069 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7410 -0.2991 -0.2008 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8680 0.4315 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 1.6166 0.5038 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1969 -0.1500 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3409 -1.4069 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3683 0.6783 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4003 -0.1836 -0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3896 0.2463 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9551 1.5210 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1763 -1.1435 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4185 -1.6044 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6062 1.1933 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7598 0.5905 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3021 -1.8876 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4814 -2.0022 -0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1391 0.0598 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0186 1.4455 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8103 1.1742 -0.4250 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