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
    3.2237   -0.3765   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8426   -0.5613    0.1155 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9816    0.4401   -0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4451    1.4746   -0.8556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326    0.2982   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960   -0.7821    0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3554   -0.9923    0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3900    1.3623   -0.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797   -0.7221   -1.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4331    0.7108   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -0.9442    0.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126   -1.5438    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5251   -1.9555    1.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -0.2115    1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241   -1.0108   -0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3406    0.9060   -0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4658    2.0652    0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9308    1.8428   -1.4372 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