2-oxaspiro[4.4]nonane-1,3-dione

C8H10O3 — CID 2737102

IUPAC2-oxaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)O1
InChIInChI=1S/C8H10O3/c9-6-5-8(7(10)11-6)3-1-2-4-8/h1-5H2
InChIKeyHOKKSYPZFBKQAZ-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.02
Rot. Bonds

About 2-oxaspiro[4.4]nonane-1,3-dione

2-oxaspiro[4.4]nonane-1,3-dione (PubChem CID 2737102) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-oxaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-oxaspiro[4.4]nonane-1,3-dione
PubChem CID2737102
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-oxaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)O1
InChIInChI=1S/C8H10O3/c9-6-5-8(7(10)11-6)3-1-2-4-8/h1-5H2
InChIKeyHOKKSYPZFBKQAZ-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-oxaspiro[4.4]nonane-1,3-dione (CID 2737102) is 2-oxaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-oxaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-oxaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)O1.
What is the InChIKey of 2-oxaspiro[4.4]nonane-1,3-dione?
The InChIKey is HOKKSYPZFBKQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-5-8(7(10)11-6)3-1-2-4-8/h1-5H2.
What are the key properties of 2-oxaspiro[4.4]nonane-1,3-dione?
2-oxaspiro[4.4]nonane-1,3-dione has a molecular weight of 154.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 2737102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).