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
   -0.9136    2.6965   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448    1.5916   -0.6542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4349    0.2900   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320   -0.1672    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8521   -1.5649    0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6983   -0.6061   -0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6076   -1.8059    0.2412 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9582   -0.1265   -0.4176 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414   -0.8839   -0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6181    3.6458   -0.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056    2.7920    1.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0155    2.5244   -0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669    0.5002   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756   -1.7255    1.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009   -2.3167   -0.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531   -1.7179    0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9649   -1.8989   -0.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9088   -0.3389   -0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5338   -0.8881    0.6997 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