Monomers

Methyl tiglate

Identifiers

IUPAC name
methyl (E)-2-methylbut-2-enoate
InchI
InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
InchI Key
YYJWBYNQJLBIGS-SNAWJCMRSA-N
SMILES
COC(=O)/C(=C/C)/C
Canonical SMILES
CC=C(C)C(=O)OC
Isomeric SMILES
C/C=C(\C)/C(=O)OC
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
H Bond Acceptors
2
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

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.1797   -0.3016    0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8074   -0.5238    0.6208 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730    0.4270    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355    1.5557   -0.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4111    0.1108   -0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1979    1.0261   -0.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6091    0.6573   -0.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.2627    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057   -0.5784    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3818    0.7905    1.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4499   -0.9104    1.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7853    1.9937   -0.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6911   -0.3871   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828    1.3058   -1.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2053    0.7885   -0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8078   -1.9581   -0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4092   -1.5718    1.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.1615    0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  5  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  6 12  1  0
  7 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers