2-spiro[4.4]nonan-4-yl-1,4-dioxane

C13H22O2 — CID 67216497

IUPAC2-spiro[4.4]nonan-4-yl-1,4-dioxane
SMILESC1CCC2(C1)CCCC2C1COCCO1
InChIInChI=1S/C13H22O2/c1-2-6-13(5-1)7-3-4-11(13)12-10-14-8-9-15-12/h11-12H,1-10H2
InChIKeyOKDKFJCODGQHLZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.76
Rot. Bonds1

About 2-spiro[4.4]nonan-4-yl-1,4-dioxane

2-spiro[4.4]nonan-4-yl-1,4-dioxane (PubChem CID 67216497) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-spiro[4.4]nonan-4-yl-1,4-dioxane.

Molecular Properties

Compound Name2-spiro[4.4]nonan-4-yl-1,4-dioxane
PubChem CID67216497
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-spiro[4.4]nonan-4-yl-1,4-dioxane
SMILESC1CCC2(C1)CCCC2C1COCCO1
InChIInChI=1S/C13H22O2/c1-2-6-13(5-1)7-3-4-11(13)12-10-14-8-9-15-12/h11-12H,1-10H2
InChIKeyOKDKFJCODGQHLZ-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[4.4]nonan-4-yl-1,4-dioxane?
The IUPAC name of 2-spiro[4.4]nonan-4-yl-1,4-dioxane (CID 67216497) is 2-spiro[4.4]nonan-4-yl-1,4-dioxane.
What is the SMILES notation for 2-spiro[4.4]nonan-4-yl-1,4-dioxane?
The canonical SMILES for 2-spiro[4.4]nonan-4-yl-1,4-dioxane is C1CCC2(C1)CCCC2C1COCCO1.
What is the InChIKey of 2-spiro[4.4]nonan-4-yl-1,4-dioxane?
The InChIKey is OKDKFJCODGQHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-6-13(5-1)7-3-4-11(13)12-10-14-8-9-15-12/h11-12H,1-10H2.
What are the key properties of 2-spiro[4.4]nonan-4-yl-1,4-dioxane?
2-spiro[4.4]nonan-4-yl-1,4-dioxane has a molecular weight of 210.32 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[4.4]nonan-4-yl-1,4-dioxane is sourced from PubChem (CID 67216497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).