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
    3.1609   -0.4276   -0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9003   -0.8022   -0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240    0.0418   -0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0489    1.2956    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360    2.0426    0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3238    1.5862    0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039    0.2880    0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4846   -0.4673   -0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3800   -1.5648   -0.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4941   -0.7302   -0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9644   -1.0784   -0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620    0.5134   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6787   -1.7788   -0.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0506    1.7122    0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232    3.0277    1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872    2.1327    1.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446   -1.7565   -1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1538   -2.4777    0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1968   -0.3382   -0.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081   -1.2186    0.7827 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