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
   -1.7201    2.0684    1.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9465    1.9602    0.3151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    0.7351   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2755   -0.0351   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643   -1.3548   -1.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8679    0.3532    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5754    1.1046    0.9361 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799   -0.8543   -0.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6814   -1.2419    0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0008    3.1227    1.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6183    1.4324    1.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1422    1.7266    2.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2744    0.3004   -1.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7214   -1.8577   -1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6282   -2.0050   -0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0039   -1.3046   -2.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4442   -0.4733   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7794   -1.5151    1.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9329   -2.1618   -0.3925 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