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
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
3.1511 -0.3701 -0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8868 -0.7724 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8085 0.0461 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0434 1.2705 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0230 2.0325 0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2454 1.5293 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5023 0.2714 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4985 -0.4672 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4078 -1.5477 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5073 -0.7435 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8951 -1.0201 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5093 0.5615 -0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6152 -1.7427 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0494 1.6895 0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2503 3.0050 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0864 2.0938 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5184 -1.7205 -1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1808 -2.5195 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2961 -0.3982 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9890 -1.1976 0.9585 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