bicyclo[2.2.2]octane

C8H14 — CID 9235

IUPACbicyclo[2.2.2]octane
SMILESC1CC2CCC1CC2
InChIInChI=1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2
InChIKeyGPRLTFBKWDERLU-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.59
Rot. Bonds

About bicyclo[2.2.2]octane

bicyclo[2.2.2]octane (PubChem CID 9235) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is bicyclo[2.2.2]octane.

Molecular Properties

Compound Namebicyclo[2.2.2]octane
PubChem CID9235
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Namebicyclo[2.2.2]octane
SMILESC1CC2CCC1CC2
InChIInChI=1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2
InChIKeyGPRLTFBKWDERLU-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Fluorobicyclo(2.2.2)octane
CID 637902
1-Iodobicyclo(2.2.2)octane
CID 136734
1,4-Difluorobicyclo(2.2.2)octane
CID 281977
1,4-Bis(4-cyclohexylbutyl)cyclohexane
CID 298663
1,4-Biscyclohexylmethylcyclohexane
CID 20730889
2-Fluorobicyclo[2.2.2]octane
CID 58861639
1,2-Difluorobicyclo[2.2.2]octane
CID 66775292
2,3-Difluorobicyclo[2.2.2]octane
CID 66775293
1-Deuteriobicyclo[2.2.2]octane
CID 176007053
1-Cyclohexyl-2-(4-cyclohexylmethyl-cyclohexyl)-ethane
CID 129658193
1-Cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]propane
CID 129658306
2,2-Difluorobicyclo[2.2.2]octane
CID 45090368

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.2]octane?
The IUPAC name of bicyclo[2.2.2]octane (CID 9235) is bicyclo[2.2.2]octane.
What is the SMILES notation for bicyclo[2.2.2]octane?
The canonical SMILES for bicyclo[2.2.2]octane is C1CC2CCC1CC2.
What is the InChIKey of bicyclo[2.2.2]octane?
The InChIKey is GPRLTFBKWDERLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2.
What are the key properties of bicyclo[2.2.2]octane?
bicyclo[2.2.2]octane has a molecular weight of 110.20 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]octane is sourced from PubChem (CID 9235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).