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
1.2657 -0.4743 0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2234 -0.4410 -0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0185 0.2858 -1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1161 1.2611 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0070 0.1035 1.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0971 -0.7637 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1537 -0.6065 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0530 -0.8411 1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9339 -0.8507 -1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0214 0.7438 -2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7404 1.9253 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0995 1.7195 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0803 0.3944 2.1374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7558 -1.4244 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8669 -1.0318 -1.4280 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