2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol

C6H10O4 — CID 3085771

IUPAC2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol
SMILESOCC12COC(OC1)OC2
InChIInChI=1S/C6H10O4/c7-1-6-2-8-5(9-3-6)10-4-6/h5,7H,1-4H2
InChIKeyWABHYJTYGYNPTR-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.67
Rot. Bonds1

About 2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol

2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol (PubChem CID 3085771) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol.

Molecular Properties

Compound Name2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol
PubChem CID3085771
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol
SMILESOCC12COC(OC1)OC2
InChIInChI=1S/C6H10O4/c7-1-6-2-8-5(9-3-6)10-4-6/h5,7H,1-4H2
InChIKeyWABHYJTYGYNPTR-UHFFFAOYSA-N
XLogP-0.67
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol?
The IUPAC name of 2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol (CID 3085771) is 2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol.
What is the SMILES notation for 2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol?
The canonical SMILES for 2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol is OCC12COC(OC1)OC2.
What is the InChIKey of 2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol?
The InChIKey is WABHYJTYGYNPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-1-6-2-8-5(9-3-6)10-4-6/h5,7H,1-4H2.
What are the key properties of 2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol?
2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol has a molecular weight of 146.14 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol is sourced from PubChem (CID 3085771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).