Monomers
2,5-Norbornadiene
Identifiers
IUPAC name
bicyclo[2.2.1]hepta-2,5-diene
InchI
InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
InchI Key
SJYNFBVQFBRSIB-UHFFFAOYSA-N
SMILES
C1=CC2CC1C=C2
Canonical SMILES
C1C2C=CC1C=C2
Isomeric SMILES
C1C2C=CC1C=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8
Heavy Atom Count
7
Molecular Weight
92.141
Exact Molecular Weight
92.0626
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
1.7485
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
2
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0
MOL File
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
-0.6799 -0.9488 0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4402 0.0327 0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5809 0.7731 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1546 -0.4297 -1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6238 -0.9258 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3113 0.3319 0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5386 1.3312 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9551 -1.6493 1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4674 0.2912 0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 1.4037 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5689 -1.1048 -1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9847 -0.1123 -1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2063 -1.8026 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2382 0.4344 1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7006 2.3750 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
5 1 1 0
7 3 1 0
1 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers