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
-4.8085 -0.0922 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3175 0.1283 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7926 0.8249 0.7545 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5180 -0.4298 -1.1231 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1202 -0.2930 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4973 -0.8686 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9141 -0.7697 0.0375 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5890 0.4292 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9175 1.4831 -0.0771 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0361 0.5278 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6556 1.6760 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8292 -0.7428 0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2879 0.5537 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1234 0.1363 -1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9621 -1.1621 0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7284 -0.8484 -2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8976 0.7792 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9438 -0.5328 0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7083 -1.9788 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0733 2.5870 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7183 1.7397 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9094 -1.1578 -0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2409 -1.4426 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8222 -0.5467 0.5174 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