2,9-dioxaspiro[4.6]undecane

C9H16O2 — CID 118210519

IUPAC2,9-dioxaspiro[4.6]undecane
SMILESC1COCCC2(C1)CCOC2
InChIInChI=1S/C9H16O2/c1-2-9(3-6-10-5-1)4-7-11-8-9/h1-8H2
InChIKeyFKKCTFHSCOLDMH-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.59
Rot. Bonds

About 2,9-dioxaspiro[4.6]undecane

2,9-dioxaspiro[4.6]undecane (PubChem CID 118210519) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,9-dioxaspiro[4.6]undecane.

Molecular Properties

Compound Name2,9-dioxaspiro[4.6]undecane
PubChem CID118210519
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2,9-dioxaspiro[4.6]undecane
SMILESC1COCCC2(C1)CCOC2
InChIInChI=1S/C9H16O2/c1-2-9(3-6-10-5-1)4-7-11-8-9/h1-8H2
InChIKeyFKKCTFHSCOLDMH-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 2,9-dioxaspiro[4.6]undecane?
The IUPAC name of 2,9-dioxaspiro[4.6]undecane (CID 118210519) is 2,9-dioxaspiro[4.6]undecane.
What is the SMILES notation for 2,9-dioxaspiro[4.6]undecane?
The canonical SMILES for 2,9-dioxaspiro[4.6]undecane is C1COCCC2(C1)CCOC2.
What is the InChIKey of 2,9-dioxaspiro[4.6]undecane?
The InChIKey is FKKCTFHSCOLDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-9(3-6-10-5-1)4-7-11-8-9/h1-8H2.
What are the key properties of 2,9-dioxaspiro[4.6]undecane?
2,9-dioxaspiro[4.6]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 2,9-dioxaspiro[4.6]undecane is sourced from PubChem (CID 118210519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).