2-oxabicyclo[2.2.2]octan-4-ylmethanol

C8H14O2 — CID 135392871

IUPAC2-oxabicyclo[2.2.2]octan-4-ylmethanol
SMILESOCC12CCC(CC1)OC2
InChIInChI=1S/C8H14O2/c9-5-8-3-1-7(2-4-8)10-6-8/h7,9H,1-6H2
InChIKeyYYYJRRRHZZLXEX-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds1

About 2-oxabicyclo[2.2.2]octan-4-ylmethanol

2-oxabicyclo[2.2.2]octan-4-ylmethanol (PubChem CID 135392871) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-oxabicyclo[2.2.2]octan-4-ylmethanol.

Molecular Properties

Compound Name2-oxabicyclo[2.2.2]octan-4-ylmethanol
PubChem CID135392871
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-oxabicyclo[2.2.2]octan-4-ylmethanol
SMILESOCC12CCC(CC1)OC2
InChIInChI=1S/C8H14O2/c9-5-8-3-1-7(2-4-8)10-6-8/h7,9H,1-6H2
InChIKeyYYYJRRRHZZLXEX-UHFFFAOYSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[2.2.2]octan-4-ylmethanol?
The IUPAC name of 2-oxabicyclo[2.2.2]octan-4-ylmethanol (CID 135392871) is 2-oxabicyclo[2.2.2]octan-4-ylmethanol.
What is the SMILES notation for 2-oxabicyclo[2.2.2]octan-4-ylmethanol?
The canonical SMILES for 2-oxabicyclo[2.2.2]octan-4-ylmethanol is OCC12CCC(CC1)OC2.
What is the InChIKey of 2-oxabicyclo[2.2.2]octan-4-ylmethanol?
The InChIKey is YYYJRRRHZZLXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-5-8-3-1-7(2-4-8)10-6-8/h7,9H,1-6H2.
What are the key properties of 2-oxabicyclo[2.2.2]octan-4-ylmethanol?
2-oxabicyclo[2.2.2]octan-4-ylmethanol has a molecular weight of 142.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[2.2.2]octan-4-ylmethanol is sourced from PubChem (CID 135392871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).