spiro[5.5]undecane-2,4-dione

C11H16O2 — CID 4962152

IUPACspiro[5.5]undecane-2,4-dione
SMILESO=C1CC(=O)CC2(CCCCC2)C1
InChIInChI=1S/C11H16O2/c12-9-6-10(13)8-11(7-9)4-2-1-3-5-11/h1-8H2
InChIKeyLKFBIHAJCFDIIN-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.26
Rot. Bonds

About spiro[5.5]undecane-2,4-dione

spiro[5.5]undecane-2,4-dione (PubChem CID 4962152) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is spiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Namespiro[5.5]undecane-2,4-dione
PubChem CID4962152
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namespiro[5.5]undecane-2,4-dione
SMILESO=C1CC(=O)CC2(CCCCC2)C1
InChIInChI=1S/C11H16O2/c12-9-6-10(13)8-11(7-9)4-2-1-3-5-11/h1-8H2
InChIKeyLKFBIHAJCFDIIN-UHFFFAOYSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dione?
The IUPAC name of spiro[5.5]undecane-2,4-dione (CID 4962152) is spiro[5.5]undecane-2,4-dione.
What is the SMILES notation for spiro[5.5]undecane-2,4-dione?
The canonical SMILES for spiro[5.5]undecane-2,4-dione is O=C1CC(=O)CC2(CCCCC2)C1.
What is the InChIKey of spiro[5.5]undecane-2,4-dione?
The InChIKey is LKFBIHAJCFDIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-9-6-10(13)8-11(7-9)4-2-1-3-5-11/h1-8H2.
What are the key properties of spiro[5.5]undecane-2,4-dione?
spiro[5.5]undecane-2,4-dione has a molecular weight of 180.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 4962152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).