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
1.4788 0.2440 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9850 -0.7481 -0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4531 -0.9264 -0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3639 -0.5915 1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3330 0.7531 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6564 1.2904 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1818 0.2831 -0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5108 0.5922 -0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5913 -1.2875 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 -1.8675 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2977 -1.2794 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3522 -0.4441 1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5408 1.3442 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8777 2.3414 -0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9662 0.2960 -1.6329 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