Monomers

Methyl 2-methoxybut-2-enoate

Identifiers

IUPAC name
methyl (Z)-2-methoxybut-2-enoate
InchI
InChI=1S/C6H10O3/c1-4-5(8-2)6(7)9-3/h4H,1-3H3/b5-4-
InchI Key
XDAOZDBTFSSMBW-PLNGDYQASA-N
SMILES
CO/C(=C\C)/C(=O)OC
Canonical SMILES
CC=C(C(=O)OC)OC
Isomeric SMILES
C/C=C(/C(=O)OC)\OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O3
Heavy Atom Count
9
Molecular Weight
130.143
Exact Molecular Weight
130.063
Valence Electrons
52
Radical Electrons
0
tPSA
35.53
MolLogP
0.7096
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

 19 18  0  0  0  0  0  0  0  0999 V2000
   -1.5226    2.1997    0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0864    1.3052   -0.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490    0.0179   -0.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5258   -0.9387   -0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1373   -2.3439   -0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7262   -0.1579   -0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1489   -1.3044    0.1465 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6390    0.8864   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9629    0.5709    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974    2.3857    0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3597    1.6956    0.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716    3.1296   -0.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5651   -0.7667   -0.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -2.5997   -1.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133   -3.0314   -0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7614   -2.4294    0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2186    1.0174    1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014    0.8911   -0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1223   -0.5273    0.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  5 15  1  0
  5 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers