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
    2.5996   -0.8738   -0.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    0.2535   -0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530    0.5722    0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5688    1.7975    0.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    2.1351    1.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7748    1.2710    0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030    0.0371    0.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -0.3110   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5729   -1.6593   -0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9762   -1.2820   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403   -1.0560   -1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.6267   -0.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9962    1.0007   -0.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3824    2.5108    0.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385    3.0981    1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8014    1.5416    1.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1424   -2.4675    0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247   -1.8061   -1.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763   -1.9547    0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6622   -1.1805   -1.1255 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