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
   -3.1571   -0.1102    0.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9113   -0.5022    0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    0.0659    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0018    1.0573   -0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676    1.6017   -1.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3489    1.1515   -1.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5365    0.1440   -0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940   -0.3894    0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576   -1.3455    1.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880   -0.7457    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4639    0.6561   -0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9808   -0.5410    1.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6831   -1.2822    1.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0020    1.4489   -1.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1258    2.3936   -2.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    1.5800   -1.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1480   -2.4191    0.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3837   -1.1134    2.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9501   -1.4848   -0.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2141   -0.1655    0.8890 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