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
4.8955 0.6329 0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4378 0.4452 0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8379 1.3486 1.0419 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8035 -0.7157 0.0624 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4495 -0.9777 0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5469 0.0347 -0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8247 -0.2814 -0.0363 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8587 0.5046 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5025 1.5007 -1.2287 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2582 0.2358 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1676 1.0384 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6442 -0.9271 0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9420 1.2159 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3545 -0.3479 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3744 1.0944 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1473 -2.0002 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2447 -0.9009 1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7224 1.0149 0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7064 0.1463 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2114 0.8512 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9051 1.8942 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3659 -1.8393 -0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0064 -0.8701 1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7179 -0.8958 0.8114 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