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
    2.9204   -0.0863    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4204   -0.2067    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696   -1.3458   -0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6638   -0.9823   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581    0.3784    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5832    0.7967    0.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8078    1.2677    0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0328    0.7850    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3774   -1.0549    0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507    0.6486    0.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2729    0.3281   -0.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566   -2.3435   -0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5176   -1.6462   -0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7121    2.3395    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429   -0.2808    0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9161    1.4026    0.2361 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