4-hydroxy-8-methoxyspiro[2.5]octan-6-one

C9H14O3 — CID 90818811

IUPAC4-hydroxy-8-methoxyspiro[2.5]octan-6-one
SMILESCOC1CC(=O)CC(O)C12CC2
InChIInChI=1S/C9H14O3/c1-12-8-5-6(10)4-7(11)9(8)2-3-9/h7-8,11H,2-5H2,1H3
InChIKeyPXYKMXOGVPPAOX-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.51
Rot. Bonds1

About 4-hydroxy-8-methoxyspiro[2.5]octan-6-one

4-hydroxy-8-methoxyspiro[2.5]octan-6-one (PubChem CID 90818811) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-hydroxy-8-methoxyspiro[2.5]octan-6-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxyspiro[2.5]octan-6-one
PubChem CID90818811
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-hydroxy-8-methoxyspiro[2.5]octan-6-one
SMILESCOC1CC(=O)CC(O)C12CC2
InChIInChI=1S/C9H14O3/c1-12-8-5-6(10)4-7(11)9(8)2-3-9/h7-8,11H,2-5H2,1H3
InChIKeyPXYKMXOGVPPAOX-UHFFFAOYSA-N
XLogP0.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-8-methoxyspiro[2.5]octan-6-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 4-hydroxy-8-methoxyspiro[2.5]octan-6-one?
The IUPAC name of 4-hydroxy-8-methoxyspiro[2.5]octan-6-one (CID 90818811) is 4-hydroxy-8-methoxyspiro[2.5]octan-6-one.
What is the SMILES notation for 4-hydroxy-8-methoxyspiro[2.5]octan-6-one?
The canonical SMILES for 4-hydroxy-8-methoxyspiro[2.5]octan-6-one is COC1CC(=O)CC(O)C12CC2.
What is the InChIKey of 4-hydroxy-8-methoxyspiro[2.5]octan-6-one?
The InChIKey is PXYKMXOGVPPAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-12-8-5-6(10)4-7(11)9(8)2-3-9/h7-8,11H,2-5H2,1H3.
What are the key properties of 4-hydroxy-8-methoxyspiro[2.5]octan-6-one?
4-hydroxy-8-methoxyspiro[2.5]octan-6-one has a molecular weight of 170.21 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxyspiro[2.5]octan-6-one is sourced from PubChem (CID 90818811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).