3-(oxan-4-yl)oxane

C10H18O2 — CID 129023040

IUPAC3-(oxan-4-yl)oxane
SMILESC1COCC(C2CCOCC2)C1
InChIInChI=1S/C10H18O2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h9-10H,1-8H2
InChIKeyJKRQNBNXDXAIKT-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.84
Rot. Bonds1

About 3-(oxan-4-yl)oxane

3-(oxan-4-yl)oxane (PubChem CID 129023040) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(oxan-4-yl)oxane.

Molecular Properties

Compound Name3-(oxan-4-yl)oxane
PubChem CID129023040
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(oxan-4-yl)oxane
SMILESC1COCC(C2CCOCC2)C1
InChIInChI=1S/C10H18O2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h9-10H,1-8H2
InChIKeyJKRQNBNXDXAIKT-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)oxane?
The IUPAC name of 3-(oxan-4-yl)oxane (CID 129023040) is 3-(oxan-4-yl)oxane.
What is the SMILES notation for 3-(oxan-4-yl)oxane?
The canonical SMILES for 3-(oxan-4-yl)oxane is C1COCC(C2CCOCC2)C1.
What is the InChIKey of 3-(oxan-4-yl)oxane?
The InChIKey is JKRQNBNXDXAIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h9-10H,1-8H2.
What are the key properties of 3-(oxan-4-yl)oxane?
3-(oxan-4-yl)oxane has a molecular weight of 170.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)oxane is sourced from PubChem (CID 129023040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).