Monomers

2-Ethenylbicyclo[4.2.0]octa-1,3,5-triene

Identifiers

IUPAC name
2-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene
InchI
InChI=1S/C10H10/c1-2-8-4-3-5-9-6-7-10(8)9/h2-5H,1,6-7H2
InchI Key
ZETZHGKAZZCCRL-UHFFFAOYSA-N
SMILES
C=Cc1cccc2c1CC2
Canonical SMILES
C=CC1=CC=CC2=C1CC2
Isomeric SMILES
C=CC1=CC=CC2=C1CC2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10
Heavy Atom Count
10
Molecular Weight
130.19
Exact Molecular Weight
130.0783
Valence Electrons
50
Radical Electrons
0
tPSA
0.0
MolLogP
2.4282
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.1969   -0.6875    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328   -0.9546    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   -0.0496   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0922    1.1641   -0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0596    2.0042   -1.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2551    1.6277   -0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5021    0.3905   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -0.4422    0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4632   -1.4148    0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886   -0.5137    0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5296    0.2297   -0.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9474   -1.3903    0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6808   -1.9159    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0916    1.5129   -0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070    2.9652   -1.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0704    2.2715   -1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4240   -2.3626    0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4449   -1.5585    1.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1436   -0.0390    1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2181   -0.8371   -0.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8  3  1  0
 10  7  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  9 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers