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
    2.6389   -0.9247   -0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1565    0.2742   -0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7682    0.6221   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3216    1.8788   -0.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0100    2.2573   -0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8365    1.2823    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4145   -0.0005    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0731   -0.3371    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588   -1.7065    0.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -1.3485    0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680   -1.1631   -0.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242   -1.7159    0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8296    1.0253   -1.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593    2.6524   -1.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3652    3.2538   -0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8841    1.5801    0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -2.5175   -0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070   -1.9567    1.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1001   -1.2586    1.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5022   -1.8969    0.2191 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