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
-4.8449 -0.2919 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3492 -0.2087 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7467 -1.0111 0.6338 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5975 0.7406 -0.7797 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2175 0.8170 -0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4550 -0.3975 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9394 -0.2742 -0.8843 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5815 -0.0721 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8925 0.0104 1.3623 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0394 0.0501 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6179 0.2436 1.5941 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8757 -0.0452 -0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0220 -0.4041 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3217 0.6841 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2120 -1.1143 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8940 1.0912 0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8800 1.6419 -1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6720 -0.5702 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7460 -1.3121 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0162 0.3134 2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6787 0.3357 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 0.4419 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0808 -1.1086 -1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3647 0.4401 -1.6837 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