Monomers

2-Ethenyl-5-methylfuran

Identifiers

IUPAC name
2-ethenyl-5-methylfuran
InchI
InChI=1S/C7H8O/c1-3-7-5-4-6(2)8-7/h3-5H,1H2,2H3
InchI Key
LTQOQNQWJBSGPF-UHFFFAOYSA-N
SMILES
Cc1ccc(o1)C=C
Canonical SMILES
CC1=CC=C(O1)C=C
Isomeric SMILES
CC1=CC=C(O1)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H8O
Heavy Atom Count
8
Molecular Weight
108.14
Exact Molecular Weight
108.0575
Valence Electrons
42
Radical Electrons
0
tPSA
13.14
MolLogP
2.231
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.2486    1.0766    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786    0.6692    0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7933    1.1652   -0.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560    0.5456   -1.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7383   -0.3223   -0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420   -0.1957    0.5472 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9145   -1.1859   -0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -1.9703    0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0427    0.8566    2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4529    2.1371    0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954    0.4089    0.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3594    1.9092   -1.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916    0.6688   -2.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -1.1735   -1.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0377   -2.6257    0.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5368   -1.9636    1.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  3
  6  2  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  4 13  1  0
  7 14  1  0
  8 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers