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
   -1.4953   -2.3312    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990   -1.5436    0.6491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4534   -0.1887    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5682    0.5238    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5509    1.9685    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8460    0.3913    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9812    1.6175   -0.2736 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840   -0.3705    0.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2710    0.0437   -0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299   -1.9934    0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749   -2.2859   -1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4179   -3.3907    0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5064    0.0488    0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5735    2.3808    0.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9721    2.5575    0.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1712    2.1651   -1.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431   -0.3559   -1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0026   -0.3705    0.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3849    1.1336   -0.2789 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