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
4.8480 0.0279 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3435 -0.0021 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 -0.6856 1.2242 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5523 0.7210 -0.5382 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1610 0.7143 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5300 -0.6325 -0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8528 -0.5379 -0.5609 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6098 -0.1307 0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9964 0.2057 1.5577 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0530 -0.0980 0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6517 -0.4548 -0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8735 0.3397 1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1726 1.1007 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1811 -0.4560 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2736 -0.4203 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 1.1775 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7901 1.3795 -1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9687 -1.3928 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 -1.0342 -1.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7312 -0.4349 -0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0247 -0.7788 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8314 -0.3752 2.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9444 0.4231 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5674 1.3447 1.9117 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