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
    2.8910    1.3770    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5787    1.3590    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048    0.1780   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780   -1.0249   -0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5817   -2.0986   -0.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823   -1.9896   -0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3523   -0.7434   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6013    0.3288   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655    1.1903    0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946    0.0166   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    2.2973    0.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247    0.4774    0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    2.3087    0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -1.1605   -0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0141   -3.0755   -0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4444   -2.8233   -0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7553    2.0285   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9118    1.5444    1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2240   -0.3101    0.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1815    0.1201   -1.0867 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