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
   -1.5004   -2.2261    0.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6468   -1.2338    1.3128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038   -0.0592    0.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578    0.6607    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4338    1.9164   -0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8066    0.3435    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651    1.3977   -0.4955 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8881   -0.4723    0.4845 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1992   -0.1234    0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5426   -3.1190    1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4983   -1.7234    0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041   -2.4625   -0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5505    0.3267    0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823    2.6242    0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4533    2.3746   -0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9988    1.8014   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1531    0.3791   -0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888    0.5937    0.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8716   -0.9982    0.0679 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