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
   -2.0578   -2.2366    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7259   -1.1971    0.9251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8538   -0.1660    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3143    1.0246    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4358    2.1789   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5760   -0.4844    0.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0078   -1.6305    0.8376 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5453    0.4616    0.2752 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150    0.2056    0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940   -2.8270   -0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4866   -1.7500   -0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8922   -2.8353    0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3800    1.2107    0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.3802    0.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0543    2.0260   -1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0265    3.1098   -0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3833    0.1882    1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1765   -0.7481   -0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3973    1.0893   -0.2690 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