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
-5.1203 0.1845 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8375 0.8114 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7419 1.9249 -0.7218 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6734 0.1342 0.1506 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3833 0.6272 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4078 -0.4180 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9337 -0.0426 0.1015 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0077 -0.8406 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7253 -1.9293 1.0334 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3938 -0.4498 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3580 -1.2719 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7355 0.8288 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0163 -0.4187 1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8832 0.9577 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3832 -0.5377 -0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3285 0.7312 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1584 1.5764 0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6118 -1.3831 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6242 -0.5622 1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4109 -1.0441 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1612 -2.2152 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0381 1.6233 -0.1092 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7920 1.0720 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6137 0.6417 -1.5563 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