9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one

C9H14O3 — CID 122470158

IUPAC9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one
SMILESCC1CC(O)C2(CCC(=O)O2)C1
InChIInChI=1S/C9H14O3/c1-6-4-7(10)9(5-6)3-2-8(11)12-9/h6-7,10H,2-5H2,1H3
InChIKeyXDRPLACSAUKSQZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.85
Rot. Bonds

About 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one

9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one (PubChem CID 122470158) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one
PubChem CID122470158
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one
SMILESCC1CC(O)C2(CCC(=O)O2)C1
InChIInChI=1S/C9H14O3/c1-6-4-7(10)9(5-6)3-2-8(11)12-9/h6-7,10H,2-5H2,1H3
InChIKeyXDRPLACSAUKSQZ-UHFFFAOYSA-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

Analyze 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one (CID 122470158) is 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one is CC1CC(O)C2(CCC(=O)O2)C1.
What is the InChIKey of 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is XDRPLACSAUKSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-4-7(10)9(5-6)3-2-8(11)12-9/h6-7,10H,2-5H2,1H3.
What are the key properties of 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one?
9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-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 9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 122470158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).