2-(oxan-2-yl)oxane

C10H18O2 — CID 559139

IUPAC2-(oxan-2-yl)oxane
SMILESC1CCC(C2CCCCO2)OC1
InChIInChI=1S/C10H18O2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h9-10H,1-8H2
InChIKeyMGYAGUUKOYNYAT-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.12
Rot. Bonds1

About 2-(oxan-2-yl)oxane

2-(oxan-2-yl)oxane (PubChem CID 559139) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(oxan-2-yl)oxane.

Molecular Properties

Compound Name2-(oxan-2-yl)oxane
PubChem CID559139
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(oxan-2-yl)oxane
SMILESC1CCC(C2CCCCO2)OC1
InChIInChI=1S/C10H18O2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h9-10H,1-8H2
InChIKeyMGYAGUUKOYNYAT-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(oxan-2-yl)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-(oxan-2-yl)oxane?
The IUPAC name of 2-(oxan-2-yl)oxane (CID 559139) is 2-(oxan-2-yl)oxane.
What is the SMILES notation for 2-(oxan-2-yl)oxane?
The canonical SMILES for 2-(oxan-2-yl)oxane is C1CCC(C2CCCCO2)OC1.
What is the InChIKey of 2-(oxan-2-yl)oxane?
The InChIKey is MGYAGUUKOYNYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h9-10H,1-8H2.
What are the key properties of 2-(oxan-2-yl)oxane?
2-(oxan-2-yl)oxane has a molecular weight of 170.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)oxane is sourced from PubChem (CID 559139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).