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
3.8576 0.8129 -1.3894 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2984 -0.2613 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9075 -1.3561 -0.3765 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1180 -0.0908 0.2041 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6231 -1.1458 1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3232 -0.6704 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5718 -0.3876 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8643 0.0719 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2390 0.2389 1.9958 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7362 0.3442 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3376 0.1672 -1.5705 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1184 0.8363 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7612 0.5214 -2.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9550 0.9148 -1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4066 1.7800 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4589 -2.0294 0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3781 -1.4284 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0733 -1.4827 2.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5423 0.2418 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -0.1906 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9630 0.3618 -2.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4352 1.4311 -0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7665 -0.0873 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1933 1.4078 0.8444 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