5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione

C6H5BiO7 — CID 16696198

IUPAC5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione
SMILESO=C1CC2(O)CC(=O)O[Bi](O1)OC2=O
InChIInChI=1S/C6H8O7.Bi/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3
InChIKeyANERHPOLUMFRDC-UHFFFAOYSA-K
MW398.08 g/mol
LogP-1.86
Rot. Bonds

About 5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione

5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione (PubChem CID 16696198) has the molecular formula C6H5BiO7 and a molecular weight of 398.08 g/mol. Its IUPAC name is 5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione.

Molecular Properties

Compound Name5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione
PubChem CID16696198
Molecular FormulaC6H5BiO7
Molecular Weight398.08 g/mol
Exact Mass397.98
IUPAC Name5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione
SMILESO=C1CC2(O)CC(=O)O[Bi](O1)OC2=O
InChIInChI=1S/C6H8O7.Bi/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3
InChIKeyANERHPOLUMFRDC-UHFFFAOYSA-K
XLogP-1.86
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.08
LogP ≤ 5-1.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione?
The IUPAC name of 5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione (CID 16696198) is 5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione.
What is the SMILES notation for 5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione?
The canonical SMILES for 5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione is O=C1CC2(O)CC(=O)O[Bi](O1)OC2=O.
What is the InChIKey of 5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione?
The InChIKey is ANERHPOLUMFRDC-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.Bi/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3.
What are the key properties of 5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione?
5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione has a molecular weight of 398.08 g/mol, XLogP of -1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione is sourced from PubChem (CID 16696198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).