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
    3.0725   -0.9581   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -1.1746   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452   -0.1044   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    1.1715    0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2301    2.1517    0.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1153    1.8825    0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4834    0.5922    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5243   -0.3900   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.4356   -0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5863   -0.3714   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596    0.0043    0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472   -1.7754   -0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4452   -2.1956   -0.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2585    1.4544    0.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5295    3.1585    0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8547    2.6617    0.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5658   -2.1924    0.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5137   -1.8567   -1.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2525   -0.5386    0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1475   -0.0842   -1.0397 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