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
    3.1384   -0.7194   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8825   -1.0374   -0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490   -0.0318   -0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0787    1.3178   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0811    2.2659    0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124    1.7992    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4998    0.4452    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4857   -0.4626   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4565   -1.5985   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5681   -0.6074    0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4715    0.2930   -0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680   -1.4955   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.0962   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908    1.6828   -0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369    3.3144    0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034    2.5380    0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180   -2.2960    0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5449   -2.1036   -1.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9934   -0.6898    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3145   -0.5181   -0.6180 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