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
   -3.1710   -0.2970    0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9613   -0.7496    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161    0.0993    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9803    1.3923   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    2.1245   -0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4228    1.5832   -0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512    0.2482   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4606   -0.4862    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -1.6804    0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.8709    0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4078    0.7009   -0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9872   -0.9967    0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838   -1.7900    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9473    1.8573   -0.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0547    3.1519   -1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379    2.1168   -0.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907   -2.5023   -0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982   -1.9790    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1568   -0.6346    0.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0100   -1.2877   -0.7013 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