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
    2.4405    1.1383   -0.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712    0.8272   -0.3764 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7287   -0.4753   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490   -1.3316   -0.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6568   -0.8267    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5835    0.1016    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542    1.5046   -0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9944   -2.2462    0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    0.8474   -1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6189    2.2167   -0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897    0.5270    0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -0.2140    0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9403    1.6677   -1.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6936    2.0312    0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130    2.0538   -0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640   -2.9144    0.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1119   -2.3865    1.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8854   -2.5209   -0.0279 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