2,5-dioxabicyclo[2.2.2]octane-1,6-diol

C6H10O4 — CID 142646090

IUPAC2,5-dioxabicyclo[2.2.2]octane-1,6-diol
SMILESOC1OC2CCC1(O)OC2
InChIInChI=1S/C6H10O4/c7-5-6(8)2-1-4(10-5)3-9-6/h4-5,7-8H,1-3H2
InChIKeyCPTBQGSVCBQUFU-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.80
Rot. Bonds

About 2,5-dioxabicyclo[2.2.2]octane-1,6-diol

2,5-dioxabicyclo[2.2.2]octane-1,6-diol (PubChem CID 142646090) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,5-dioxabicyclo[2.2.2]octane-1,6-diol.

Molecular Properties

Compound Name2,5-dioxabicyclo[2.2.2]octane-1,6-diol
PubChem CID142646090
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2,5-dioxabicyclo[2.2.2]octane-1,6-diol
SMILESOC1OC2CCC1(O)OC2
InChIInChI=1S/C6H10O4/c7-5-6(8)2-1-4(10-5)3-9-6/h4-5,7-8H,1-3H2
InChIKeyCPTBQGSVCBQUFU-UHFFFAOYSA-N
XLogP-0.80
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxabicyclo[2.2.2]octane-1,6-diol?
The IUPAC name of 2,5-dioxabicyclo[2.2.2]octane-1,6-diol (CID 142646090) is 2,5-dioxabicyclo[2.2.2]octane-1,6-diol.
What is the SMILES notation for 2,5-dioxabicyclo[2.2.2]octane-1,6-diol?
The canonical SMILES for 2,5-dioxabicyclo[2.2.2]octane-1,6-diol is OC1OC2CCC1(O)OC2.
What is the InChIKey of 2,5-dioxabicyclo[2.2.2]octane-1,6-diol?
The InChIKey is CPTBQGSVCBQUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-5-6(8)2-1-4(10-5)3-9-6/h4-5,7-8H,1-3H2.
What are the key properties of 2,5-dioxabicyclo[2.2.2]octane-1,6-diol?
2,5-dioxabicyclo[2.2.2]octane-1,6-diol has a molecular weight of 146.14 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxabicyclo[2.2.2]octane-1,6-diol is sourced from PubChem (CID 142646090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).