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
    2.3174   -0.9746    1.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784   -0.7111    0.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7469    0.3177   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    1.0094   -0.6467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5859    0.6462   -0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6275   -0.0079   -0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5009   -1.1173    0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7417    1.7862   -1.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7401   -1.6528    0.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3259   -1.4569    2.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677   -0.0183    1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6059    0.2812   -0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8978   -1.9196    0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975   -1.5646    1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0477   -0.8026    1.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770    1.6088   -2.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7991    2.7217   -0.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900    1.8545   -2.1884 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