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
    3.0479   -1.0570   -0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465   -0.8618   -0.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9351    0.0867   -0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4194    0.7310   -1.5687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205    0.3133   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -0.3616    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2770   -0.1844    1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2651    1.3365   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5881   -0.0995   -0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180   -1.5908   -1.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5997   -1.6557    0.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.1234    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9965   -0.8877    0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2496   -0.3250    2.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6304    0.8597    1.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3396    1.0700   -0.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.4350   -1.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617    2.3149   -0.2756 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