5-(3-hydroxy-1-methoxypropyl)oxolan-2-one

C8H14O4 — CID 69292086

IUPAC5-(3-hydroxy-1-methoxypropyl)oxolan-2-one
SMILESCOC(CCO)C1CCC(=O)O1
InChIInChI=1S/C8H14O4/c1-11-6(4-5-9)7-2-3-8(10)12-7/h6-7,9H,2-5H2,1H3
InChIKeyJPKAXOQFJJYUBQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.09
Rot. Bonds4

About 5-(3-hydroxy-1-methoxypropyl)oxolan-2-one

5-(3-hydroxy-1-methoxypropyl)oxolan-2-one (PubChem CID 69292086) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-(3-hydroxy-1-methoxypropyl)oxolan-2-one.

Molecular Properties

Compound Name5-(3-hydroxy-1-methoxypropyl)oxolan-2-one
PubChem CID69292086
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name5-(3-hydroxy-1-methoxypropyl)oxolan-2-one
SMILESCOC(CCO)C1CCC(=O)O1
InChIInChI=1S/C8H14O4/c1-11-6(4-5-9)7-2-3-8(10)12-7/h6-7,9H,2-5H2,1H3
InChIKeyJPKAXOQFJJYUBQ-UHFFFAOYSA-N
XLogP0.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-hydroxy-1-methoxypropyl)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-(3-hydroxy-1-methoxypropyl)oxolan-2-one?
The IUPAC name of 5-(3-hydroxy-1-methoxypropyl)oxolan-2-one (CID 69292086) is 5-(3-hydroxy-1-methoxypropyl)oxolan-2-one.
What is the SMILES notation for 5-(3-hydroxy-1-methoxypropyl)oxolan-2-one?
The canonical SMILES for 5-(3-hydroxy-1-methoxypropyl)oxolan-2-one is COC(CCO)C1CCC(=O)O1.
What is the InChIKey of 5-(3-hydroxy-1-methoxypropyl)oxolan-2-one?
The InChIKey is JPKAXOQFJJYUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-11-6(4-5-9)7-2-3-8(10)12-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-(3-hydroxy-1-methoxypropyl)oxolan-2-one?
5-(3-hydroxy-1-methoxypropyl)oxolan-2-one has a molecular weight of 174.20 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-1-methoxypropyl)oxolan-2-one is sourced from PubChem (CID 69292086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).