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
4.8866 -0.0057 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4618 -0.4455 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0843 -1.2834 1.1038 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5439 0.0943 -0.5987 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1667 -0.1950 -0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5198 0.1699 0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8563 -0.0792 0.6915 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7398 0.5242 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2890 1.3100 -1.0244 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1589 0.2535 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9774 0.8460 -0.9579 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6772 -0.6892 0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8987 1.1038 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4909 -0.3333 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2627 -0.3779 -0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0087 -1.2899 -0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 0.3676 -1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9736 -0.4418 1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7618 1.2340 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6506 1.5369 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0288 0.6436 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7479 -0.9489 0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1420 -1.6744 0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5664 -0.3199 1.9354 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