(5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one

C8H12O3 — CID 12872233

IUPAC(5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC[C@@]2(CCC[C@@H]2O)O1
InChIInChI=1S/C8H12O3/c9-6-2-1-4-8(6)5-3-7(10)11-8/h6,9H,1-5H2/t6-,8+/m0/s1
InChIKeyAOSLWNKIYGICKV-POYBYMJQSA-N
MW156.18 g/mol
LogP0.61
Rot. Bonds

About (5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one

(5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one (PubChem CID 12872233) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one
PubChem CID12872233
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC[C@@]2(CCC[C@@H]2O)O1
InChIInChI=1S/C8H12O3/c9-6-2-1-4-8(6)5-3-7(10)11-8/h6,9H,1-5H2/t6-,8+/m0/s1
InChIKeyAOSLWNKIYGICKV-POYBYMJQSA-N
XLogP0.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of (5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one (CID 12872233) is (5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one is O=C1CC[C@@]2(CCC[C@@H]2O)O1.
What is the InChIKey of (5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is AOSLWNKIYGICKV-POYBYMJQSA-N. The full InChI is InChI=1S/C8H12O3/c9-6-2-1-4-8(6)5-3-7(10)11-8/h6,9H,1-5H2/t6-,8+/m0/s1.
What are the key properties of (5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one?
(5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-9-hydroxy-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 12872233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).