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
    2.7571    1.1796   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8420    0.1001   -0.0365 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4576    0.3326   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1199    1.5441   -0.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5025   -0.7478   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839   -0.4759   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3247    0.9092   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543   -2.1569   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1944    1.2529    1.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926    0.9051   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173    2.1277   -0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4993   -1.2980   -0.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322    0.9017   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0084    1.4800   -1.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0327    1.4112    0.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040   -2.2641    0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5110   -2.3278   -1.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8579   -2.8736    0.0553 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