5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one

C13H20O3 — CID 22709209

IUPAC5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one
SMILESO=C1CCC(CCC2CC3CC2CC3O)O1
InChIInChI=1S/C13H20O3/c14-12-7-9-6-10(12)5-8(9)1-2-11-3-4-13(15)16-11/h8-12,14H,1-7H2
InChIKeyNSUVTDZBDFXPRW-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.88
Rot. Bonds3

About 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one

5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one (PubChem CID 22709209) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one
PubChem CID22709209
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one
SMILESO=C1CCC(CCC2CC3CC2CC3O)O1
InChIInChI=1S/C13H20O3/c14-12-7-9-6-10(12)5-8(9)1-2-11-3-4-13(15)16-11/h8-12,14H,1-7H2
InChIKeyNSUVTDZBDFXPRW-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-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 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
The IUPAC name of 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one (CID 22709209) is 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one.
What is the SMILES notation for 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
The canonical SMILES for 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one is O=C1CCC(CCC2CC3CC2CC3O)O1.
What is the InChIKey of 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
The InChIKey is NSUVTDZBDFXPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-12-7-9-6-10(12)5-8(9)1-2-11-3-4-13(15)16-11/h8-12,14H,1-7H2.
What are the key properties of 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one is sourced from PubChem (CID 22709209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).