1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane

C16H26 — CID 13184607

IUPAC1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
SMILESC1CC2(C34CCC(CC3)CC4)CCC1CC2
InChIInChI=1S/C16H26/c1-7-15(8-2-13(1)3-9-15)16-10-4-14(5-11-16)6-12-16/h13-14H,1-12H2
InChIKeyAWACYFFADLOQSK-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.93
Rot. Bonds1

About 1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane

1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane (PubChem CID 13184607) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
PubChem CID13184607
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
SMILESC1CC2(C34CCC(CC3)CC4)CCC1CC2
InChIInChI=1S/C16H26/c1-7-15(8-2-13(1)3-9-15)16-10-4-14(5-11-16)6-12-16/h13-14H,1-12H2
InChIKeyAWACYFFADLOQSK-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane?
The IUPAC name of 1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane (CID 13184607) is 1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane.
What is the SMILES notation for 1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane?
The canonical SMILES for 1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane is C1CC2(C34CCC(CC3)CC4)CCC1CC2.
What is the InChIKey of 1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane?
The InChIKey is AWACYFFADLOQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-7-15(8-2-13(1)3-9-15)16-10-4-14(5-11-16)6-12-16/h13-14H,1-12H2.
What are the key properties of 1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane?
1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane has a molecular weight of 218.38 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane is sourced from PubChem (CID 13184607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).