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
3.4732 1.5809 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8571 0.2594 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1231 -0.2755 1.2457 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9914 -0.4115 -0.6835 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3850 -1.6439 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5310 -1.5762 0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5146 -0.6416 0.7662 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5371 -0.6819 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5582 -1.6175 -0.9958 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5946 0.3321 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5506 0.2463 -1.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6340 1.4594 0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8223 1.4451 -1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3656 1.7907 0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6947 2.3624 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7209 -1.8785 -1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1047 -2.4826 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0618 -2.5926 1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1541 -1.4246 1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3482 0.9628 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5553 -0.5763 -1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3673 1.2967 1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6272 1.7133 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9977 2.3539 0.2010 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