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
4.8545 -0.1608 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3554 -0.2964 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8564 -1.1064 0.5827 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 0.4294 -1.0279 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1085 0.3556 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5349 0.7215 0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8550 0.6673 0.3569 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6189 -0.4428 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0464 -1.5141 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0648 -0.3396 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8036 -1.4068 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7311 0.9254 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3448 -1.1394 -0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1844 0.4041 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1193 0.4449 0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7515 -0.6257 -1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7520 1.1333 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9272 0.0804 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8212 1.8020 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3510 -2.3536 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8764 -1.3813 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4162 1.2511 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9961 1.7266 0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3705 0.8252 1.4530 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