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
    2.6852   -0.6845    1.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4891   -0.9553    1.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106   -0.0313    0.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2259    1.2071    0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911    2.1080   -0.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7421    1.6965   -1.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679    0.4306   -0.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5636   -0.4387   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5939   -1.4703   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3752   -0.5369   -0.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -1.4594    2.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533    0.2622    1.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0294   -1.9373    1.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968    1.5660    0.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736    3.0861   -0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543    2.3694   -1.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2033   -2.3665   -0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0871   -1.7237    0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3168   -0.2156   -0.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5206   -0.9063   -1.9942 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