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
    3.1877   -0.2102    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0181   -0.6971    0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8046    0.1139    0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    1.4574    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3454    2.1707    0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305    1.5607    0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5773    0.2226   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4200   -0.5062   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -1.7709   -0.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3720   -0.9822   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0933   -0.8300    0.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    0.8163    0.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555   -1.7635   -0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7743    1.9838    0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3246    3.2321    0.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722    2.1036    0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1243   -2.5431    0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7785   -2.2014   -1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8769   -0.8917   -1.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1153   -1.2651    0.3449 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