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
2.9039 -0.5031 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7474 -0.1844 0.5237 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5978 0.1761 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6519 0.1986 -1.4159 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6444 0.5224 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6795 0.4925 1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7478 0.8708 -0.2238 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5745 -0.0233 -0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8431 -0.3381 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9014 -1.5734 -0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9019 0.1205 -1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 0.7419 2.3923 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1819 0.2199 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0461 -0.6000 -1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0968 -0.7255 -0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 0.6052 -1.4380 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