5,7-dioxaspiro[2.5]octan-6-one

C6H8O3 — CID 59701127

IUPAC5,7-dioxaspiro[2.5]octan-6-one
SMILESO=C1OCC2(CC2)CO1
InChIInChI=1S/C6H8O3/c7-5-8-3-6(1-2-6)4-9-5/h1-4H2
InChIKeyCMGPDSINICNLOM-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.93
Rot. Bonds

About 5,7-dioxaspiro[2.5]octan-6-one

5,7-dioxaspiro[2.5]octan-6-one (PubChem CID 59701127) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5,7-dioxaspiro[2.5]octan-6-one.

Molecular Properties

Compound Name5,7-dioxaspiro[2.5]octan-6-one
PubChem CID59701127
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name5,7-dioxaspiro[2.5]octan-6-one
SMILESO=C1OCC2(CC2)CO1
InChIInChI=1S/C6H8O3/c7-5-8-3-6(1-2-6)4-9-5/h1-4H2
InChIKeyCMGPDSINICNLOM-UHFFFAOYSA-N
XLogP0.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dioxaspiro[2.5]octan-6-one?
The IUPAC name of 5,7-dioxaspiro[2.5]octan-6-one (CID 59701127) is 5,7-dioxaspiro[2.5]octan-6-one.
What is the SMILES notation for 5,7-dioxaspiro[2.5]octan-6-one?
The canonical SMILES for 5,7-dioxaspiro[2.5]octan-6-one is O=C1OCC2(CC2)CO1.
What is the InChIKey of 5,7-dioxaspiro[2.5]octan-6-one?
The InChIKey is CMGPDSINICNLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c7-5-8-3-6(1-2-6)4-9-5/h1-4H2.
What are the key properties of 5,7-dioxaspiro[2.5]octan-6-one?
5,7-dioxaspiro[2.5]octan-6-one has a molecular weight of 128.13 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dioxaspiro[2.5]octan-6-one is sourced from PubChem (CID 59701127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).