tetracyclo[2.2.0.01,5.02,4]hexane

C6H6 — CID 22957582

IUPACtetracyclo[2.2.0.01,5.02,4]hexane
SMILESC1C2C13C1CC213
InChIInChI=1S/C6H6/c1-3-5(1)4-2-6(3,4)5/h3-4H,1-2H2
InChIKeyBSOGPSDEBCWCGI-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.03
Rot. Bonds

About tetracyclo[2.2.0.01,5.02,4]hexane

tetracyclo[2.2.0.01,5.02,4]hexane (PubChem CID 22957582) has the molecular formula C6H6 and a molecular weight of 78.11 g/mol. Its IUPAC name is tetracyclo[2.2.0.01,5.02,4]hexane.

Molecular Properties

Compound Nametetracyclo[2.2.0.01,5.02,4]hexane
PubChem CID22957582
Molecular FormulaC6H6
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Nametetracyclo[2.2.0.01,5.02,4]hexane
SMILESC1C2C13C1CC213
InChIInChI=1S/C6H6/c1-3-5(1)4-2-6(3,4)5/h3-4H,1-2H2
InChIKeyBSOGPSDEBCWCGI-UHFFFAOYSA-N
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[2.2.0.01,5.02,4]hexane?
The IUPAC name of tetracyclo[2.2.0.01,5.02,4]hexane (CID 22957582) is tetracyclo[2.2.0.01,5.02,4]hexane.
What is the SMILES notation for tetracyclo[2.2.0.01,5.02,4]hexane?
The canonical SMILES for tetracyclo[2.2.0.01,5.02,4]hexane is C1C2C13C1CC213.
What is the InChIKey of tetracyclo[2.2.0.01,5.02,4]hexane?
The InChIKey is BSOGPSDEBCWCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-3-5(1)4-2-6(3,4)5/h3-4H,1-2H2.
What are the key properties of tetracyclo[2.2.0.01,5.02,4]hexane?
tetracyclo[2.2.0.01,5.02,4]hexane has a molecular weight of 78.11 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[2.2.0.01,5.02,4]hexane is sourced from PubChem (CID 22957582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).