2-[3-(oxan-3-yl)propoxy]oxane

C13H24O3 — CID 71213961

IUPAC2-[3-(oxan-3-yl)propoxy]oxane
SMILESC1CCC(OCCCC2CCCOC2)OC1
InChIInChI=1S/C13H24O3/c1-2-9-15-13(7-1)16-10-4-6-12-5-3-8-14-11-12/h12-13H,1-11H2
InChIKeyPDBXQWMPMNQGRP-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.74
Rot. Bonds5

About 2-[3-(oxan-3-yl)propoxy]oxane

2-[3-(oxan-3-yl)propoxy]oxane (PubChem CID 71213961) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-[3-(oxan-3-yl)propoxy]oxane.

Molecular Properties

Compound Name2-[3-(oxan-3-yl)propoxy]oxane
PubChem CID71213961
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-[3-(oxan-3-yl)propoxy]oxane
SMILESC1CCC(OCCCC2CCCOC2)OC1
InChIInChI=1S/C13H24O3/c1-2-9-15-13(7-1)16-10-4-6-12-5-3-8-14-11-12/h12-13H,1-11H2
InChIKeyPDBXQWMPMNQGRP-UHFFFAOYSA-N
XLogP2.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(oxan-3-yl)propoxy]oxane 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 2-[3-(oxan-3-yl)propoxy]oxane?
The IUPAC name of 2-[3-(oxan-3-yl)propoxy]oxane (CID 71213961) is 2-[3-(oxan-3-yl)propoxy]oxane.
What is the SMILES notation for 2-[3-(oxan-3-yl)propoxy]oxane?
The canonical SMILES for 2-[3-(oxan-3-yl)propoxy]oxane is C1CCC(OCCCC2CCCOC2)OC1.
What is the InChIKey of 2-[3-(oxan-3-yl)propoxy]oxane?
The InChIKey is PDBXQWMPMNQGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-9-15-13(7-1)16-10-4-6-12-5-3-8-14-11-12/h12-13H,1-11H2.
What are the key properties of 2-[3-(oxan-3-yl)propoxy]oxane?
2-[3-(oxan-3-yl)propoxy]oxane has a molecular weight of 228.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-3-yl)propoxy]oxane is sourced from PubChem (CID 71213961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).