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
   -1.7386   -1.4783   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300   -0.3209   -0.4871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446    0.3985    0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4435    1.1318    1.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8030    1.2608    1.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    0.3318   -0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1649    0.9754    0.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5449   -0.4428   -1.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231   -0.5605   -1.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -1.7920   -0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483   -2.2989    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3407   -1.2248    0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3416    1.6929    1.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5320    1.2086    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9177    2.2796    2.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9768    0.5008    2.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4937   -1.2119   -1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -0.9013   -3.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3005    0.4512   -2.0892 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