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
    1.5494   -2.3894   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8039   -1.2511    0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9035   -0.1113    0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341    1.0535    1.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406    2.1723    1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7299    2.1162    0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0885    0.9456   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2589   -0.1527   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842   -0.9109   -1.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0827    0.2879   -1.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.2096    0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -2.4667   -0.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7152   -1.1781    1.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651    1.0730    1.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6980    3.0917    1.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3797    2.9926    0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6696   -1.7874   -0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314   -1.1230   -2.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0811    0.1176   -0.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1870    0.7297   -2.1426 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