(1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one

C7H10O3 — CID 10898815

IUPAC(1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
SMILESO=C1O[C@@H]2C[C@H]1CC[C@H]2O
InChIInChI=1S/C7H10O3/c8-5-2-1-4-3-6(5)10-7(4)9/h4-6,8H,1-3H2/t4-,5-,6-/m1/s1
InChIKeyFJEHNJSXWDSJJG-HSUXUTPPSA-N
MW142.15 g/mol
LogP0.07
Rot. Bonds

About (1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one

(1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one (PubChem CID 10898815) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
PubChem CID10898815
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
SMILESO=C1O[C@@H]2C[C@H]1CC[C@H]2O
InChIInChI=1S/C7H10O3/c8-5-2-1-4-3-6(5)10-7(4)9/h4-6,8H,1-3H2/t4-,5-,6-/m1/s1
InChIKeyFJEHNJSXWDSJJG-HSUXUTPPSA-N
XLogP0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one?
The IUPAC name of (1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one (CID 10898815) is (1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one is O=C1O[C@@H]2C[C@H]1CC[C@H]2O.
What is the InChIKey of (1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one?
The InChIKey is FJEHNJSXWDSJJG-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H10O3/c8-5-2-1-4-3-6(5)10-7(4)9/h4-6,8H,1-3H2/t4-,5-,6-/m1/s1.
What are the key properties of (1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one?
(1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one has a molecular weight of 142.15 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 10898815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).