5-hydroxy-3-oxaspiro[5.5]undecan-11-one

C10H16O3 — CID 168910216

IUPAC5-hydroxy-3-oxaspiro[5.5]undecan-11-one
SMILESO=C1CCCCC12CCOCC2O
InChIInChI=1S/C10H16O3/c11-8-3-1-2-4-10(8)5-6-13-7-9(10)12/h9,12H,1-7H2
InChIKeyHIUQVYUFSNGMJK-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.90
Rot. Bonds

About 5-hydroxy-3-oxaspiro[5.5]undecan-11-one

5-hydroxy-3-oxaspiro[5.5]undecan-11-one (PubChem CID 168910216) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5-hydroxy-3-oxaspiro[5.5]undecan-11-one.

Molecular Properties

Compound Name5-hydroxy-3-oxaspiro[5.5]undecan-11-one
PubChem CID168910216
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5-hydroxy-3-oxaspiro[5.5]undecan-11-one
SMILESO=C1CCCCC12CCOCC2O
InChIInChI=1S/C10H16O3/c11-8-3-1-2-4-10(8)5-6-13-7-9(10)12/h9,12H,1-7H2
InChIKeyHIUQVYUFSNGMJK-UHFFFAOYSA-N
XLogP0.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-3-oxaspiro[5.5]undecan-11-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 5-hydroxy-3-oxaspiro[5.5]undecan-11-one?
The IUPAC name of 5-hydroxy-3-oxaspiro[5.5]undecan-11-one (CID 168910216) is 5-hydroxy-3-oxaspiro[5.5]undecan-11-one.
What is the SMILES notation for 5-hydroxy-3-oxaspiro[5.5]undecan-11-one?
The canonical SMILES for 5-hydroxy-3-oxaspiro[5.5]undecan-11-one is O=C1CCCCC12CCOCC2O.
What is the InChIKey of 5-hydroxy-3-oxaspiro[5.5]undecan-11-one?
The InChIKey is HIUQVYUFSNGMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-8-3-1-2-4-10(8)5-6-13-7-9(10)12/h9,12H,1-7H2.
What are the key properties of 5-hydroxy-3-oxaspiro[5.5]undecan-11-one?
5-hydroxy-3-oxaspiro[5.5]undecan-11-one has a molecular weight of 184.23 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-oxaspiro[5.5]undecan-11-one is sourced from PubChem (CID 168910216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).