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
    1.9198    0.9296    2.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.0530    1.2504 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979    0.3303    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0222    1.5545    0.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3288   -0.6745   -0.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2604   -0.3344   -1.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    1.0722   -1.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -2.0919   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    1.7484    2.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7648    1.3594    1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074    0.4616    3.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7035   -1.1103   -1.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400    1.6798   -1.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383    1.1069   -2.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1217    1.4901   -0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6391   -2.7394   -0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0839   -2.4570    0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -2.2724   -0.8646 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