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
3.4271 1.6640 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8430 0.2853 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3394 -0.4553 0.7856 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8382 -0.1179 -0.9639 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3190 -1.4182 -0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6981 -1.6291 0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3609 -0.7270 0.7437 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4979 -0.6212 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6415 -1.3729 -1.0015 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5090 0.3529 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3373 1.1318 1.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7468 0.4801 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1579 2.2565 0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5355 1.5588 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1015 2.1787 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6178 -1.6583 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2178 -2.1035 -0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4047 -1.5591 1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2480 -2.6568 0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4305 1.0322 1.9976 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0667 1.8690 1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2848 1.4260 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5040 0.4921 -1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3686 -0.4080 -0.2311 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