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
    3.0832   -0.5179    0.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8030   -0.8198    0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8015    0.0310    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420    1.2366   -0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520    2.0197   -0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1365    1.5681   -0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4889    0.3275   -0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5372   -0.4387    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4839   -1.4874    0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5397   -0.6517   -0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996   -1.2017    1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5144    0.3850    0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5112   -1.7858    1.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1815    1.5988   -0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3596    2.9819   -1.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9505    2.1489   -1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6599   -1.6294    1.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2242   -2.4354   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0381   -1.1013   -0.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2892   -0.2286    0.6319 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