spiro[5.5]undecane-2,4,8,10-tetrone

C11H12O4 — CID 18538193

IUPACspiro[5.5]undecane-2,4,8,10-tetrone
SMILESO=C1CC(=O)CC2(C1)CC(=O)CC(=O)C2
InChIInChI=1S/C11H12O4/c12-7-1-8(13)4-11(3-7)5-9(14)2-10(15)6-11/h1-6H2
InChIKeyCXYBQEZMDAZSET-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.62
Rot. Bonds

About spiro[5.5]undecane-2,4,8,10-tetrone

spiro[5.5]undecane-2,4,8,10-tetrone (PubChem CID 18538193) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is spiro[5.5]undecane-2,4,8,10-tetrone.

Molecular Properties

Compound Namespiro[5.5]undecane-2,4,8,10-tetrone
PubChem CID18538193
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namespiro[5.5]undecane-2,4,8,10-tetrone
SMILESO=C1CC(=O)CC2(C1)CC(=O)CC(=O)C2
InChIInChI=1S/C11H12O4/c12-7-1-8(13)4-11(3-7)5-9(14)2-10(15)6-11/h1-6H2
InChIKeyCXYBQEZMDAZSET-UHFFFAOYSA-N
XLogP0.62
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 spiro[5.5]undecane-2,4,8,10-tetrone?
The IUPAC name of spiro[5.5]undecane-2,4,8,10-tetrone (CID 18538193) is spiro[5.5]undecane-2,4,8,10-tetrone.
What is the SMILES notation for spiro[5.5]undecane-2,4,8,10-tetrone?
The canonical SMILES for spiro[5.5]undecane-2,4,8,10-tetrone is O=C1CC(=O)CC2(C1)CC(=O)CC(=O)C2.
What is the InChIKey of spiro[5.5]undecane-2,4,8,10-tetrone?
The InChIKey is CXYBQEZMDAZSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-7-1-8(13)4-11(3-7)5-9(14)2-10(15)6-11/h1-6H2.
What are the key properties of spiro[5.5]undecane-2,4,8,10-tetrone?
spiro[5.5]undecane-2,4,8,10-tetrone has a molecular weight of 208.21 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.5]undecane-2,4,8,10-tetrone is sourced from PubChem (CID 18538193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).