2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane

C14H24O5 — CID 151459610

IUPAC2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane
SMILESC1CCC(OC2CCCOC2)(OC2CCOC2)OC1
InChIInChI=1S/C14H24O5/c1-2-8-17-14(6-1,19-13-5-9-16-11-13)18-12-4-3-7-15-10-12/h12-13H,1-11H2
InChIKeyPIEHCOCFPLBKQE-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.84
Rot. Bonds4

About 2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane

2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane (PubChem CID 151459610) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane.

Molecular Properties

Compound Name2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane
PubChem CID151459610
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane
SMILESC1CCC(OC2CCCOC2)(OC2CCOC2)OC1
InChIInChI=1S/C14H24O5/c1-2-8-17-14(6-1,19-13-5-9-16-11-13)18-12-4-3-7-15-10-12/h12-13H,1-11H2
InChIKeyPIEHCOCFPLBKQE-UHFFFAOYSA-N
XLogP1.84
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane?
The IUPAC name of 2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane (CID 151459610) is 2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane.
What is the SMILES notation for 2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane?
The canonical SMILES for 2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane is C1CCC(OC2CCCOC2)(OC2CCOC2)OC1.
What is the InChIKey of 2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane?
The InChIKey is PIEHCOCFPLBKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-2-8-17-14(6-1,19-13-5-9-16-11-13)18-12-4-3-7-15-10-12/h12-13H,1-11H2.
What are the key properties of 2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane?
2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane has a molecular weight of 272.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yloxy)-2-(oxolan-3-yloxy)oxane is sourced from PubChem (CID 151459610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).