6-oxaspiro[4.5]decane-7,9-dione

C9H12O3 — CID 19912136

IUPAC6-oxaspiro[4.5]decane-7,9-dione
SMILESO=C1CC(=O)OC2(CCCC2)C1
InChIInChI=1S/C9H12O3/c10-7-5-8(11)12-9(6-7)3-1-2-4-9/h1-6H2
InChIKeyCDHXXUIEFNGJQS-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.21
Rot. Bonds

About 6-oxaspiro[4.5]decane-7,9-dione

6-oxaspiro[4.5]decane-7,9-dione (PubChem CID 19912136) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 6-oxaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name6-oxaspiro[4.5]decane-7,9-dione
PubChem CID19912136
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name6-oxaspiro[4.5]decane-7,9-dione
SMILESO=C1CC(=O)OC2(CCCC2)C1
InChIInChI=1S/C9H12O3/c10-7-5-8(11)12-9(6-7)3-1-2-4-9/h1-6H2
InChIKeyCDHXXUIEFNGJQS-UHFFFAOYSA-N
XLogP1.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.21
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 6-oxaspiro[4.5]decane-7,9-dione?
The IUPAC name of 6-oxaspiro[4.5]decane-7,9-dione (CID 19912136) is 6-oxaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 6-oxaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 6-oxaspiro[4.5]decane-7,9-dione is O=C1CC(=O)OC2(CCCC2)C1.
What is the InChIKey of 6-oxaspiro[4.5]decane-7,9-dione?
The InChIKey is CDHXXUIEFNGJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-7-5-8(11)12-9(6-7)3-1-2-4-9/h1-6H2.
What are the key properties of 6-oxaspiro[4.5]decane-7,9-dione?
6-oxaspiro[4.5]decane-7,9-dione has a molecular weight of 168.19 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 19912136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).