5,6-ditritiobicyclo[2.2.1]hept-2-ene

C7H10 — CID 58212147

IUPAC5,6-ditritiobicyclo[2.2.1]hept-2-ene
SMILES[3H]C1C2C=CC(C2)C1[3H]
InChIInChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2/i3T,4T
InChIKeyJFNLZVQOOSMTJK-PZFLKRBQSA-N
MW98.17 g/mol
LogP1.97
Rot. Bonds

About 5,6-ditritiobicyclo[2.2.1]hept-2-ene

5,6-ditritiobicyclo[2.2.1]hept-2-ene (PubChem CID 58212147) has the molecular formula C7H10 and a molecular weight of 98.17 g/mol. Its IUPAC name is 5,6-ditritiobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-ditritiobicyclo[2.2.1]hept-2-ene
PubChem CID58212147
Molecular FormulaC7H10
Molecular Weight98.17 g/mol
Exact Mass98.09
IUPAC Name5,6-ditritiobicyclo[2.2.1]hept-2-ene
SMILES[3H]C1C2C=CC(C2)C1[3H]
InChIInChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2/i3T,4T
InChIKeyJFNLZVQOOSMTJK-PZFLKRBQSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
(1S,3S,4R,6R)-bicyclo[4.2.1]non-7-ene-3,4-diol
CID 25136543
bicyclo[2.2.1]hept-2-ene;trichlororhodium
CID 175974959
bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane
CID 174548915
(1S,5S)-bicyclo[3.2.1]oct-6-en-3-one
CID 7057322
bicyclo[2.2.2]oct-2-ene
CID 13608
aminophosphonous acid;bicyclo[2.2.1]hept-2-ene
CID 67327267
bicyclo[2.2.1]hept-2-ene;carbanide;2-methylpropane;tungsten(2+)
CID 158415038
bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)
CID 173404323
bicyclo[2.2.1]hept-2-ene;naphthalene
CID 175477679
bicyclo[2.2.1]hept-2-ene;2-methylbutane
CID 167695695
2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol
CID 13040771

Frequently Asked Questions

What is the IUPAC name of 5,6-ditritiobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-ditritiobicyclo[2.2.1]hept-2-ene (CID 58212147) is 5,6-ditritiobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-ditritiobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-ditritiobicyclo[2.2.1]hept-2-ene is [3H]C1C2C=CC(C2)C1[3H].
What is the InChIKey of 5,6-ditritiobicyclo[2.2.1]hept-2-ene?
The InChIKey is JFNLZVQOOSMTJK-PZFLKRBQSA-N. The full InChI is InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2/i3T,4T.
What are the key properties of 5,6-ditritiobicyclo[2.2.1]hept-2-ene?
5,6-ditritiobicyclo[2.2.1]hept-2-ene has a molecular weight of 98.17 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditritiobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58212147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).