4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one

C17H28O6 — CID 22737272

IUPAC4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one
SMILESO=C1CC(CCCOCCCOCCCC2COC(=O)C2)CO1
InChIInChI=1S/C17H28O6/c18-16-10-14(12-22-16)4-1-6-20-8-3-9-21-7-2-5-15-11-17(19)23-13-15/h14-15H,1-13H2
InChIKeyAOYODLARHOYIRN-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.10
Rot. Bonds12

About 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one

4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one (PubChem CID 22737272) has the molecular formula C17H28O6 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one.

Molecular Properties

Compound Name4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one
PubChem CID22737272
Molecular FormulaC17H28O6
Molecular Weight328.41 g/mol
Exact Mass328.19
IUPAC Name4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one
SMILESO=C1CC(CCCOCCCOCCCC2COC(=O)C2)CO1
InChIInChI=1S/C17H28O6/c18-16-10-14(12-22-16)4-1-6-20-8-3-9-21-7-2-5-15-11-17(19)23-13-15/h14-15H,1-13H2
InChIKeyAOYODLARHOYIRN-UHFFFAOYSA-N
XLogP2.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]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 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one?
The IUPAC name of 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one (CID 22737272) is 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one.
What is the SMILES notation for 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one?
The canonical SMILES for 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one is O=C1CC(CCCOCCCOCCCC2COC(=O)C2)CO1.
What is the InChIKey of 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one?
The InChIKey is AOYODLARHOYIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O6/c18-16-10-14(12-22-16)4-1-6-20-8-3-9-21-7-2-5-15-11-17(19)23-13-15/h14-15H,1-13H2.
What are the key properties of 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one?
4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one has a molecular weight of 328.41 g/mol, XLogP of 2.10, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one is sourced from PubChem (CID 22737272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).