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
    3.1680   -0.6157   -0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051   -0.9351    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204    0.0130   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410    1.3305   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    2.2035   -0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201    1.7592   -0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5047    0.3980    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4812   -0.4783    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3730   -1.6067    0.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830   -0.6516    0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9381   -1.3649   -0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4920    0.3711   -0.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -1.9857    0.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0444    1.7255   -0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955    3.2444   -0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1989    2.4169   -0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2871   -2.3970   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358   -2.0246    1.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218   -0.8701   -0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0299   -0.5326    1.2984 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