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
    3.1306    0.0133   -0.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7803    0.2936   -0.5966 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9962   -0.5141    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651   -1.5133    0.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136   -0.2087    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.8397   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4137    1.1266    0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077   -1.0985    1.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    1.0097   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233   -0.5453   -0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -0.4783   -1.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4164    1.4815   -0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    1.5260    1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7997    1.8548   -0.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0124    0.1884    0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5566   -1.8791    1.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6470   -0.4835    2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0053   -1.6128    0.7801 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