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
0.5240 -1.3064 -0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4362 -0.3687 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7207 0.7755 0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3288 0.0120 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8074 -0.7722 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1671 0.3876 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2080 1.2853 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7343 -2.2762 -0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4893 -0.4616 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2676 1.5018 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1373 -0.6427 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1136 0.6726 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5602 -1.4854 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0370 0.4446 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0874 2.2338 -1.2072 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