(1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione

C8H8O6 — CID 11264102

IUPAC(1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione
SMILESO=C1O[C@@H]2[C@@H](C[C@]3(O)C[C@H]2OC3=O)O1
InChIInChI=1S/C8H8O6/c9-6-8(11)1-3(12-6)5-4(2-8)13-7(10)14-5/h3-5,11H,1-2H2/t3-,4-,5+,8-/m1/s1
InChIKeyUBGYKJKQSPRMAM-XWJKOJJASA-N
MW200.15 g/mol
LogP-0.66
Rot. Bonds

About (1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione

(1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione (PubChem CID 11264102) has the molecular formula C8H8O6 and a molecular weight of 200.15 g/mol. Its IUPAC name is (1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione.

Molecular Properties

Compound Name(1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione
PubChem CID11264102
Molecular FormulaC8H8O6
Molecular Weight200.15 g/mol
Exact Mass200.03
IUPAC Name(1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione
SMILESO=C1O[C@@H]2[C@@H](C[C@]3(O)C[C@H]2OC3=O)O1
InChIInChI=1S/C8H8O6/c9-6-8(11)1-3(12-6)5-4(2-8)13-7(10)14-5/h3-5,11H,1-2H2/t3-,4-,5+,8-/m1/s1
InChIKeyUBGYKJKQSPRMAM-XWJKOJJASA-N
XLogP-0.66
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione?
The IUPAC name of (1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione (CID 11264102) is (1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione.
What is the SMILES notation for (1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione?
The canonical SMILES for (1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione is O=C1O[C@@H]2[C@@H](C[C@]3(O)C[C@H]2OC3=O)O1.
What is the InChIKey of (1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione?
The InChIKey is UBGYKJKQSPRMAM-XWJKOJJASA-N. The full InChI is InChI=1S/C8H8O6/c9-6-8(11)1-3(12-6)5-4(2-8)13-7(10)14-5/h3-5,11H,1-2H2/t3-,4-,5+,8-/m1/s1.
What are the key properties of (1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione?
(1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione has a molecular weight of 200.15 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione is sourced from PubChem (CID 11264102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).