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
1.1477 -0.2763 -0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0886 0.9448 -0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0635 0.9512 0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1419 -0.4605 1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0765 -1.1073 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2129 -0.5386 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2754 0.7035 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8296 -0.6328 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7105 1.8000 -0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0874 1.7242 1.2967 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6978 -0.7594 1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1353 -0.5715 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2055 -2.1489 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9419 -1.0565 -1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0567 1.4279 -0.3760 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