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
2.8427 1.1248 -0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7282 0.3101 -0.4355 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6598 0.1295 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7316 0.7358 1.5387 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4803 -0.7266 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5291 -1.3514 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4952 -0.8411 1.0393 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7244 -0.1689 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7712 2.0353 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8574 1.3815 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7455 0.5300 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3436 -1.9824 -1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2833 -1.2244 -1.7528 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3896 -0.3838 1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1783 -0.4861 -0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4792 0.9177 0.7338 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