5-oxaspiro[3.5]non-6-en-8-one

C8H10O2 — CID 81251341

IUPAC5-oxaspiro[3.5]non-6-en-8-one
SMILESO=C1C=COC2(CCC2)C1
InChIInChI=1S/C8H10O2/c9-7-2-5-10-8(6-7)3-1-4-8/h2,5H,1,3-4,6H2
InChIKeyPIALPFGZTHADDR-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.41
Rot. Bonds

About 5-oxaspiro[3.5]non-6-en-8-one

5-oxaspiro[3.5]non-6-en-8-one (PubChem CID 81251341) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-oxaspiro[3.5]non-6-en-8-one.

Molecular Properties

Compound Name5-oxaspiro[3.5]non-6-en-8-one
PubChem CID81251341
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-oxaspiro[3.5]non-6-en-8-one
SMILESO=C1C=COC2(CCC2)C1
InChIInChI=1S/C8H10O2/c9-7-2-5-10-8(6-7)3-1-4-8/h2,5H,1,3-4,6H2
InChIKeyPIALPFGZTHADDR-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]non-6-en-8-one?
The IUPAC name of 5-oxaspiro[3.5]non-6-en-8-one (CID 81251341) is 5-oxaspiro[3.5]non-6-en-8-one.
What is the SMILES notation for 5-oxaspiro[3.5]non-6-en-8-one?
The canonical SMILES for 5-oxaspiro[3.5]non-6-en-8-one is O=C1C=COC2(CCC2)C1.
What is the InChIKey of 5-oxaspiro[3.5]non-6-en-8-one?
The InChIKey is PIALPFGZTHADDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-7-2-5-10-8(6-7)3-1-4-8/h2,5H,1,3-4,6H2.
What are the key properties of 5-oxaspiro[3.5]non-6-en-8-one?
5-oxaspiro[3.5]non-6-en-8-one has a molecular weight of 138.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]non-6-en-8-one is sourced from PubChem (CID 81251341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).