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
    2.5406   -0.8175    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928   -0.0231   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1337    1.3082   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2193    1.5650   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8497    0.3476   -0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965   -0.5420    0.1056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3037    0.1234   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7293   -1.0949    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -1.7099    0.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3515   -0.2190    0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8783   -1.1481   -0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9626    1.9986   -0.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6991    2.5042   -0.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9693    0.9444   -0.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034   -1.3017    0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0715   -1.9352    0.3882 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