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

C7H10O3 — CID 51014182

IUPAC(1S,4S,5S)-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-/m0/s1
InChIKeyFJEHNJSXWDSJJG-ZLUOBGJFSA-N
MW142.15 g/mol
LogP0.07
Rot. Bonds

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

(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one (PubChem CID 51014182) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
PubChem CID51014182
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1S,4S,5S)-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-/m0/s1
InChIKeyFJEHNJSXWDSJJG-ZLUOBGJFSA-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

Analyze (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one with MolForge

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Related Compounds

(5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
CID 163551138
(4R)-4-iodo-6-oxabicyclo[3.2.1]octan-7-one
CID 70376083
deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one
CID 162074318
(1S,4S,5S)-4-methylsulfanyl-6-oxabicyclo[3.2.1]octan-7-one
CID 132551226
(1R,4S,5E,8R,9R)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodec-5-en-11-one
CID 23305215
(1S,5S)-4-phenylselanyl-6-oxabicyclo[3.2.1]octan-7-one
CID 139264961
(1S,4S,5S)-4-phenylselanyl-6-oxabicyclo[3.2.1]octan-7-one
CID 134989312
(1S,5S)-3-oxabicyclo[3.2.1]octane-2,4-dione
CID 98047957
(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,4-dimethyl-3-oxopentanoate
CID 70791219
(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-iminobut-3-enoate
CID 163849463
3-methyl-6-oxabicyclo[3.2.2]nonan-7-one
CID 123684123
6-propan-2-yl-2-oxabicyclo[2.2.1]heptan-3-one
CID 91189657

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one?
The IUPAC name of (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one (CID 51014182) is (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (1S,4S,5S)-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 (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one?
The InChIKey is FJEHNJSXWDSJJG-ZLUOBGJFSA-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-/m0/s1.
What are the key properties of (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one?
(1S,4S,5S)-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 (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 51014182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).