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
    3.1555   -0.2630   -0.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430   -0.7259   -0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168    0.0871   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9504    1.3738    0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1266    2.1287    0.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601    1.5397    0.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369    0.2188    0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683   -0.4785   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2836   -1.6765   -0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4532   -0.9143    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9565   -0.9197   -0.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    0.7367   -0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7694   -1.7391   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9296    1.8706    0.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066    3.1630    1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631    2.0504    1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3185   -1.9360   -1.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -2.5426    0.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2013   -0.6078   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9031   -1.3653    0.9706 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