2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol

C5H8O5 — CID 175504514

IUPAC2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol
SMILESOC12COC(O)(OC1)OC2
InChIInChI=1S/C5H8O5/c6-4-1-8-5(7,9-2-4)10-3-4/h6-7H,1-3H2
InChIKeyAGBTWWYEHJOAQG-UHFFFAOYSA-N
MW148.11 g/mol
LogP-1.60
Rot. Bonds

About 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol

2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol (PubChem CID 175504514) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol.

Molecular Properties

Compound Name2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol
PubChem CID175504514
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol
SMILESOC12COC(O)(OC1)OC2
InChIInChI=1S/C5H8O5/c6-4-1-8-5(7,9-2-4)10-3-4/h6-7H,1-3H2
InChIKeyAGBTWWYEHJOAQG-UHFFFAOYSA-N
XLogP-1.60
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyloxirane;methanol
CID 161373463
(1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol
CID 131004421
2-methoxyoxiran-2-ol
CID 123437916
2,5,5-trimethyl-1,3-dioxan-2-ol
CID 71420298
3-(methylamino)oxetan-3-ol
CID 123559940
2-methanidyl-2-methyloxirane;rutherfordium
CID 58802922
2,2-difluorooxirane
CID 19829575
2-(6-hydroxy-1,4-oxazepan-6-yl)ethynyl thiohypoiodite
CID 167468344
2,3,3-trifluoro-4,4-dimethyloxolan-2-ol
CID 164772515
2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol
CID 89164183
2-(oxiran-2-yloxy)oxiran-2-ol
CID 88661518
2,7,11-trioxatrispiro[2.1.25.1.29.13]dodecane
CID 165154842

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol?
The IUPAC name of 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol (CID 175504514) is 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol.
What is the SMILES notation for 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol?
The canonical SMILES for 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol is OC12COC(O)(OC1)OC2.
What is the InChIKey of 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol?
The InChIKey is AGBTWWYEHJOAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5/c6-4-1-8-5(7,9-2-4)10-3-4/h6-7H,1-3H2.
What are the key properties of 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol?
2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol has a molecular weight of 148.11 g/mol, XLogP of -1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trioxabicyclo[2.2.2]octane-1,4-diol is sourced from PubChem (CID 175504514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).