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
3.1896 2.0884 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8182 0.6599 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3128 0.0543 1.0542 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9780 -0.0283 -0.7547 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5694 -1.3599 -0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8296 -1.5612 0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3196 -0.7386 0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3851 -0.7683 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 -1.5821 -1.0766 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5468 0.0867 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6087 0.9410 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6453 0.0006 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2202 2.2307 0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5345 2.7712 0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1539 2.3627 -1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4103 -2.0828 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9472 -1.6427 -1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5130 -1.3126 1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5715 -2.6381 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4591 1.6081 1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7975 1.0037 1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5714 -0.8866 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6483 -0.0867 -0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7254 0.8805 -1.6254 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