2,8-dioxaspiro[5.5]undecane

C9H16O2 — CID 22020701

IUPAC2,8-dioxaspiro[5.5]undecane
SMILESC1COCC2(C1)CCCOC2
InChIInChI=1S/C9H16O2/c1-3-9(7-10-5-1)4-2-6-11-8-9/h1-8H2
InChIKeyQKHQZLALBMVGFS-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.59
Rot. Bonds

About 2,8-dioxaspiro[5.5]undecane

2,8-dioxaspiro[5.5]undecane (PubChem CID 22020701) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,8-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name2,8-dioxaspiro[5.5]undecane
PubChem CID22020701
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2,8-dioxaspiro[5.5]undecane
SMILESC1COCC2(C1)CCCOC2
InChIInChI=1S/C9H16O2/c1-3-9(7-10-5-1)4-2-6-11-8-9/h1-8H2
InChIKeyQKHQZLALBMVGFS-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dioxaspiro[5.5]undecane?
The IUPAC name of 2,8-dioxaspiro[5.5]undecane (CID 22020701) is 2,8-dioxaspiro[5.5]undecane.
What is the SMILES notation for 2,8-dioxaspiro[5.5]undecane?
The canonical SMILES for 2,8-dioxaspiro[5.5]undecane is C1COCC2(C1)CCCOC2.
What is the InChIKey of 2,8-dioxaspiro[5.5]undecane?
The InChIKey is QKHQZLALBMVGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-9(7-10-5-1)4-2-6-11-8-9/h1-8H2.
What are the key properties of 2,8-dioxaspiro[5.5]undecane?
2,8-dioxaspiro[5.5]undecane has a molecular weight of 156.22 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dioxaspiro[5.5]undecane is sourced from PubChem (CID 22020701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).