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
   -3.1667   -0.5316    0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8887   -0.7781    0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8640    0.0003    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041    1.0579   -0.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0490    1.7459   -1.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2598    1.3996   -1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.3302   -0.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748   -0.3369    0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4436   -1.2277    0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852   -0.5099    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5079    0.2689   -0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8883   -1.1338    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6006   -1.6100    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306    1.3428   -0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3142    2.5720   -2.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0838    1.9398   -1.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4267   -1.1861    2.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596   -2.2979    0.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2147    0.0261    1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492   -1.0715   -0.4909 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