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
    2.7089   -1.6440    0.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124   -1.5169    0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7682   -0.2719    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685    0.8790   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333    2.0438   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5385    2.0414   -0.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2868    0.8678   -0.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6378   -0.2503    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -1.0086    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5854    0.2092   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847   -2.5704    0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4001   -0.8280    0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068   -2.3795    0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5428    0.9072   -0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3916    2.9528   -0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1192    2.9049   -0.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9253   -1.8878   -0.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -1.2878    1.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1231    0.1257   -1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2322    0.7135    0.4729 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