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
1.1888 0.7376 -0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1658 -0.5549 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0503 -1.1069 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0564 -0.3546 1.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0610 1.0112 0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 0.8647 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2655 -0.4139 -0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8904 1.4990 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8743 -1.1042 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 -2.1613 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0048 -0.5725 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8399 -0.4684 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1618 1.8500 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8907 1.6654 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0513 -0.8912 -1.2122 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