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
-4.8987 0.2750 0.8848 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4920 0.4436 0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8208 1.4831 0.6616 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8913 -0.5485 -0.3366 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5955 -0.5198 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5410 -0.3880 0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7018 -0.3722 -0.3919 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9235 -0.2615 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8093 -0.1769 1.5493 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1975 -0.2469 -0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2581 -0.3376 -1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4357 -0.1280 0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1598 1.0151 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6174 0.2835 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9661 -0.7285 1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4341 0.2435 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4006 -1.5167 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7236 0.4789 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6431 -1.3144 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2285 -0.3238 -2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3385 -0.4251 -2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3228 -0.3974 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4142 -0.7351 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5543 0.9400 0.6803 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