1-oxaspiro[4.4]nonane-2,8-dione

C8H10O3 — CID 68731112

IUPAC1-oxaspiro[4.4]nonane-2,8-dione
SMILESO=C1CCC2(CCC(=O)O2)C1
InChIInChI=1S/C8H10O3/c9-6-1-3-8(5-6)4-2-7(10)11-8/h1-5H2
InChIKeyAZCXGYSFQALJOA-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.82
Rot. Bonds

About 1-oxaspiro[4.4]nonane-2,8-dione

1-oxaspiro[4.4]nonane-2,8-dione (PubChem CID 68731112) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1-oxaspiro[4.4]nonane-2,8-dione.

Molecular Properties

Compound Name1-oxaspiro[4.4]nonane-2,8-dione
PubChem CID68731112
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1-oxaspiro[4.4]nonane-2,8-dione
SMILESO=C1CCC2(CCC(=O)O2)C1
InChIInChI=1S/C8H10O3/c9-6-1-3-8(5-6)4-2-7(10)11-8/h1-5H2
InChIKeyAZCXGYSFQALJOA-UHFFFAOYSA-N
XLogP0.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]nonane-2,8-dione?
The IUPAC name of 1-oxaspiro[4.4]nonane-2,8-dione (CID 68731112) is 1-oxaspiro[4.4]nonane-2,8-dione.
What is the SMILES notation for 1-oxaspiro[4.4]nonane-2,8-dione?
The canonical SMILES for 1-oxaspiro[4.4]nonane-2,8-dione is O=C1CCC2(CCC(=O)O2)C1.
What is the InChIKey of 1-oxaspiro[4.4]nonane-2,8-dione?
The InChIKey is AZCXGYSFQALJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-1-3-8(5-6)4-2-7(10)11-8/h1-5H2.
What are the key properties of 1-oxaspiro[4.4]nonane-2,8-dione?
1-oxaspiro[4.4]nonane-2,8-dione has a molecular weight of 154.16 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]nonane-2,8-dione is sourced from PubChem (CID 68731112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).