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
    2.3237    1.4420    0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605    0.8499    0.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043   -0.4880    0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7637   -1.2784    0.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5877   -0.9255    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5913   -0.0883    0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4438    1.3745    0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8255   -2.3880   -0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    1.7868    1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2886    2.3799   -0.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390    0.7917   -0.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5974   -0.4854   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8476    1.7777   -0.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9452    1.6638    1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4363    1.8883    0.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6575   -2.6305   -0.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1165   -2.7428    0.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974   -2.9276   -0.3910 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