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
    2.4610   -1.0865    0.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1176   -0.6894    0.5606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7288    0.2069   -0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.6948   -1.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490    0.6055   -0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6513    0.1381    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3971   -0.8393    1.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735    1.5767   -1.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1748   -0.4776    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6997   -0.8434    1.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6429   -2.1379    0.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6755    0.4405   -0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7267   -0.3039    1.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3266   -1.1044    1.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9406   -1.7786    0.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9914    1.4491   -2.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9177    2.5871   -1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921    1.5621   -2.4924 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