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
    3.1498   -0.3881    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.8581    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8181    0.0585    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9712    1.4265    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1124    2.2761   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347    1.6820   -0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5227    0.2851   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4678   -0.5210   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2929   -1.7308   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4531   -0.8368   -0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    0.6424    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9424   -1.1200    0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7262   -1.9240    0.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9434    1.8682    0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    3.3399   -0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    2.2983   -0.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0071   -2.3689   -0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3925   -2.3009    0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9355   -1.0124   -1.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986   -0.8160    0.5465 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