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
Resources
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
2.6163 -0.7391 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7034 0.1743 0.0465 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3482 -0.0601 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0340 -1.1285 0.6236 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6204 0.8659 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1639 1.9598 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9933 0.5840 -0.4732 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4967 -0.5825 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1937 -1.3010 -0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0355 -1.4900 1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3164 -0.2415 1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8393 2.6680 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8918 2.1431 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2559 -0.6894 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1035 -1.5081 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5982 -0.6549 0.0163 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