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
2.7987 0.9654 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.6782 -0.2657 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8151 -0.4076 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3377 -1.1095 1.1049 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4873 -0.6860 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1410 -1.7227 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0636 0.0899 -1.3002 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3373 0.6980 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5522 0.6682 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8375 2.0788 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9588 0.4967 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1227 -1.9365 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7461 -2.3771 0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5796 1.2610 -2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2244 1.3780 -0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1077 -0.0747 -0.9199 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