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
-1.6102 -0.1432 -2.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0356 -0.3053 -0.7702 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2552 0.7421 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1030 1.7672 -0.9897 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3741 0.6641 1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0940 1.6709 1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2373 -0.4387 1.8498 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8072 -1.6994 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5975 -0.6594 -2.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7369 0.9320 -2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8833 -0.5435 -2.7898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2276 2.5528 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5694 1.6352 2.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4518 -2.1349 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5466 -2.3632 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9139 -1.6767 1.5242 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