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
   -1.6570    2.6977    0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4900    1.9709    0.7908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3077    0.6427    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449   -0.1573    0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1324   -1.5723   -0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444    0.1298    0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830    0.9145    0.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -1.1747    0.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7614   -1.5712    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6245    3.7344    0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5735    2.2260    0.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7050    2.7335   -0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3444    0.2294    0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1259   -2.0469   -0.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596   -2.1192    0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5392   -1.6880   -1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2372   -1.1184   -0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2249   -1.1705    0.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8693   -2.6604    0.0904 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