Monomers
Methyl 2-methoxyacrylate
Identifiers
IUPAC name
methyl 2-methoxyprop-2-enoate
InchI
InChI=1S/C5H8O3/c1-4(7-2)5(6)8-3/h1H2,2-3H3
InchI Key
BTTXESIFAHCXMK-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)OC
Canonical SMILES
COC(=C)C(=O)OC
Isomeric SMILES
COC(=C)C(=O)OC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O3
Heavy Atom Count
8
Molecular Weight
116.116
Exact Molecular Weight
116.0473
Valence Electrons
46
Radical Electrons
0
tPSA
35.53
MolLogP
0.3195
H Bond Acceptors
3
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
16 15 0 0 0 0 0 0 0 0999 V2000
2.8478 -0.2227 0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5480 0.2461 0.0352 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5838 -0.6302 -0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9407 -1.8399 -0.5562 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7586 -0.2011 -0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6164 -1.0874 -1.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1399 1.1068 -0.6862 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9075 1.5912 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5804 0.6211 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2212 -0.9609 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8797 -0.6459 1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3105 -2.1120 -1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6254 -0.8357 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8596 1.0272 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0227 2.6792 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3610 1.2641 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
5 7 1 0
7 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
6 12 1 0
6 13 1 0
8 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers