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
4.8027 -0.9957 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4849 -0.5742 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9458 -1.2564 0.7706 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8281 0.5399 -0.5809 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5981 1.0160 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5057 0.0070 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 0.4897 0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8481 -0.3393 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6863 -1.4931 -0.5203 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1651 0.0777 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3221 1.2545 0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3133 -0.8298 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4160 -0.0692 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7012 -1.5723 -1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3229 -1.6364 0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6055 1.3569 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3287 1.9108 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7091 -0.9636 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4615 -0.2039 -1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4898 1.9244 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2913 1.6276 1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7750 -0.9552 1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0190 -1.7942 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0720 -0.3169 -0.3531 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