Monomers
Ethyl methacrylate
Identifiers
IUPAC name
ethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3
InchI Key
SUPCQIBBMFXVTL-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)C
Canonical SMILES
CCOC(=O)C(=C)C
Isomeric SMILES
CCOC(=O)C(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
H Bond Acceptors
2
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
18 17 0 0 0 0 0 0 0 0999 V2000
2.6562 0.3244 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1327 -0.0454 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8166 -0.5013 -0.6200 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2205 0.2499 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0638 1.4254 0.2692 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5718 -0.2635 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.4905 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6270 0.5970 0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8554 0.2667 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4277 -0.4523 0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1341 1.3311 0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1780 0.8547 -1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7207 -0.8672 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0696 -2.1045 -0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8790 -1.8939 -0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6489 0.3388 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4758 1.6692 0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6294 0.5614 1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers