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
    1.8011   -2.0988    0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9393   -0.8825    0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208    0.1126    0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1531    1.3767    0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1959    2.3537    0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709    2.0467    0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963    0.7408   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2673   -0.2148   -0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1073   -1.2137   -0.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1104   -0.1620   -1.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865   -2.8479    0.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9524   -2.4204   -0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8666   -0.6489    1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0713    1.6211    1.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3813    3.3686    1.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7620    2.7648   -0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6947   -1.5905   -1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3627   -2.0563   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0543   -0.4123   -0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3423    0.1630   -2.0834 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