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
5.2033 -0.6303 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8831 -0.4336 -0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8174 -0.3519 -1.9422 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7040 -0.3338 0.0244 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4812 -0.1486 -0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3826 -0.0791 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8866 0.1065 -0.2165 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9920 0.1914 0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8476 0.1021 1.8226 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3335 0.3824 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5601 0.4839 -1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5039 0.4677 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1818 -1.5908 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4433 0.2094 0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9826 -0.6770 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5450 0.8573 -1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2846 -0.9160 -1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3508 -1.0020 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5515 0.7987 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7488 0.4288 -1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5553 0.6240 -1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8638 -0.5115 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1599 1.0200 1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3596 1.0024 0.4604 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