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
4.9562 0.1461 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4901 0.0365 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0027 -1.0612 -0.6283 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6519 1.1397 -0.2074 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2681 1.0968 -0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5137 0.1404 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8485 0.1976 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8091 -0.5713 0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4358 -1.3188 1.5593 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2055 -0.5570 0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0677 -1.3045 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6402 0.3233 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0236 0.8099 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3776 -0.8209 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4441 0.6365 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8631 2.1119 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1040 0.8254 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5611 0.5754 1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8899 -0.8875 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7248 -1.9375 1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1108 -1.3078 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7370 0.2492 -1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1019 0.0727 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4646 1.4053 -0.6084 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