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
    3.1202   -0.7524   -0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8780   -1.0046    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038   -0.0336   -0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0006    1.2110   -0.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0348    2.1073   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2783    1.7229   -0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5215    0.4578    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4974   -0.3927    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3539   -1.4278    0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -0.4997    0.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4626    0.1745   -0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8477   -1.5658   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6332   -1.9709    0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    1.4747   -1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1674    3.0663   -1.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517    2.3601   -0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459   -2.3564    0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0134   -1.6465    1.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2541   -0.7363   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016   -0.1879    1.7017 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