4,9-dioxaspiro[2.6]nonane

C7H12O2 — CID 68651979

IUPAC4,9-dioxaspiro[2.6]nonane
SMILESC1CCOC2(CC2)OC1
InChIInChI=1S/C7H12O2/c1-2-6-9-7(3-4-7)8-5-1/h1-6H2
InChIKeyRDKPEJQPFQQBAV-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.30
Rot. Bonds

About 4,9-dioxaspiro[2.6]nonane

4,9-dioxaspiro[2.6]nonane (PubChem CID 68651979) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4,9-dioxaspiro[2.6]nonane.

Molecular Properties

Compound Name4,9-dioxaspiro[2.6]nonane
PubChem CID68651979
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4,9-dioxaspiro[2.6]nonane
SMILESC1CCOC2(CC2)OC1
InChIInChI=1S/C7H12O2/c1-2-6-9-7(3-4-7)8-5-1/h1-6H2
InChIKeyRDKPEJQPFQQBAV-UHFFFAOYSA-N
XLogP1.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,9-dioxaspiro[2.6]nonane?
The IUPAC name of 4,9-dioxaspiro[2.6]nonane (CID 68651979) is 4,9-dioxaspiro[2.6]nonane.
What is the SMILES notation for 4,9-dioxaspiro[2.6]nonane?
The canonical SMILES for 4,9-dioxaspiro[2.6]nonane is C1CCOC2(CC2)OC1.
What is the InChIKey of 4,9-dioxaspiro[2.6]nonane?
The InChIKey is RDKPEJQPFQQBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-6-9-7(3-4-7)8-5-1/h1-6H2.
What are the key properties of 4,9-dioxaspiro[2.6]nonane?
4,9-dioxaspiro[2.6]nonane has a molecular weight of 128.17 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dioxaspiro[2.6]nonane is sourced from PubChem (CID 68651979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).