5-oxaspiro[2.4]heptan-4-one

C6H8O2 — CID 10975442

IUPAC5-oxaspiro[2.4]heptan-4-one
SMILESO=C1OCCC12CC2
InChIInChI=1S/C6H8O2/c7-5-6(1-2-6)3-4-8-5/h1-4H2
InChIKeyVPDLKQZGTPUSJG-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.71
Rot. Bonds

About 5-oxaspiro[2.4]heptan-4-one

5-oxaspiro[2.4]heptan-4-one (PubChem CID 10975442) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-oxaspiro[2.4]heptan-4-one.

Molecular Properties

Compound Name5-oxaspiro[2.4]heptan-4-one
PubChem CID10975442
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name5-oxaspiro[2.4]heptan-4-one
SMILESO=C1OCCC12CC2
InChIInChI=1S/C6H8O2/c7-5-6(1-2-6)3-4-8-5/h1-4H2
InChIKeyVPDLKQZGTPUSJG-UHFFFAOYSA-N
XLogP0.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[2.4]heptan-4-one?
The IUPAC name of 5-oxaspiro[2.4]heptan-4-one (CID 10975442) is 5-oxaspiro[2.4]heptan-4-one.
What is the SMILES notation for 5-oxaspiro[2.4]heptan-4-one?
The canonical SMILES for 5-oxaspiro[2.4]heptan-4-one is O=C1OCCC12CC2.
What is the InChIKey of 5-oxaspiro[2.4]heptan-4-one?
The InChIKey is VPDLKQZGTPUSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-5-6(1-2-6)3-4-8-5/h1-4H2.
What are the key properties of 5-oxaspiro[2.4]heptan-4-one?
5-oxaspiro[2.4]heptan-4-one has a molecular weight of 112.13 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[2.4]heptan-4-one is sourced from PubChem (CID 10975442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).