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
    3.0151   -0.4023   -0.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7518   -0.7322   -1.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087    0.0171   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958    1.0544    0.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2635    1.7286    1.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    1.3479    1.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4746    0.2752    0.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5558   -0.3568   -0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5461   -1.2694   -0.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5528   -0.5821    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073    0.3862   -0.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7273   -0.9539   -1.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3825   -1.5579   -1.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2134    1.3981    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598    2.5606    2.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258    1.8241    1.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832   -2.3192   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147   -1.1836   -1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090   -1.2730    0.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3046    0.0383   -0.4831 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