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

C9H14O3 — CID 11816104

IUPAC(5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one
SMILESC[C@@]1(O)CCC[C@@]12CCOC2=O
InChIInChI=1S/C9H14O3/c1-8(11)3-2-4-9(8)5-6-12-7(9)10/h11H,2-6H2,1H3/t8-,9+/m1/s1
InChIKeyUVSIVSLLTRDYAH-BDAKNGLRSA-N
MW170.21 g/mol
LogP0.85
Rot. Bonds

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

(5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one (PubChem CID 11816104) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one
PubChem CID11816104
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one
SMILESC[C@@]1(O)CCC[C@@]12CCOC2=O
InChIInChI=1S/C9H14O3/c1-8(11)3-2-4-9(8)5-6-12-7(9)10/h11H,2-6H2,1H3/t8-,9+/m1/s1
InChIKeyUVSIVSLLTRDYAH-BDAKNGLRSA-N
XLogP0.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one (CID 11816104) is (5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one is C[C@@]1(O)CCC[C@@]12CCOC2=O.
What is the InChIKey of (5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one?
The InChIKey is UVSIVSLLTRDYAH-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14O3/c1-8(11)3-2-4-9(8)5-6-12-7(9)10/h11H,2-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of (5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one?
(5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one has a molecular weight of 170.21 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one is sourced from PubChem (CID 11816104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).