(1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one

C6H8O4 — CID 11040815

IUPAC(1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESO=C1C[C@H](O)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C6H8O4/c7-3-1-4(8)6-9-2-5(3)10-6/h3,5-7H,1-2H2/t3-,5+,6+/m0/s1
InChIKeyLCGBCCIDYOEGQM-OTWZMJIISA-N
MW144.13 g/mol
LogP-0.94
Rot. Bonds

About (1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one

(1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one (PubChem CID 11040815) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one.

Molecular Properties

Compound Name(1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one
PubChem CID11040815
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESO=C1C[C@H](O)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C6H8O4/c7-3-1-4(8)6-9-2-5(3)10-6/h3,5-7H,1-2H2/t3-,5+,6+/m0/s1
InChIKeyLCGBCCIDYOEGQM-OTWZMJIISA-N
XLogP-0.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one?
The IUPAC name of (1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one (CID 11040815) is (1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one.
What is the SMILES notation for (1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one?
The canonical SMILES for (1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one is O=C1C[C@H](O)[C@H]2CO[C@@H]1O2.
What is the InChIKey of (1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one?
The InChIKey is LCGBCCIDYOEGQM-OTWZMJIISA-N. The full InChI is InChI=1S/C6H8O4/c7-3-1-4(8)6-9-2-5(3)10-6/h3,5-7H,1-2H2/t3-,5+,6+/m0/s1.
What are the key properties of (1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one?
(1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one has a molecular weight of 144.13 g/mol, XLogP of -0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-one is sourced from PubChem (CID 11040815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).