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
   -2.8754   -0.3922    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4197   -0.1189    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9063    1.1454   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4709    1.0244   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7203   -0.3363   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4235   -0.9341    0.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0547   -0.9172   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1233   -0.1751   -0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3102    0.4295    1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3968   -0.5232   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9836   -1.3688    0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4832    2.0706   -0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575    1.8153   -0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968   -2.0004   -0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109   -0.6094   -0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644    0.8903   -0.4852 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