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
    3.2314   -0.0681    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560   -0.6157    0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8272    0.1406    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7805    1.5080    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136    2.2216   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5909    1.5230   -0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5484    0.1430   -0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3716   -0.5542   -0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0879   -1.8427   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897   -1.0921   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756    0.9845    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1107   -0.6911    0.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207   -1.7238    0.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7210    2.0492    0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038    3.3026   -0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4977    2.0957   -0.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0783   -2.3904    0.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8028   -2.4991   -0.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0882   -1.2260    0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503   -1.2652   -1.3104 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