spiro[4.5]decane-7,9-dione

C10H14O2 — CID 4831594

IUPACspiro[4.5]decane-7,9-dione
SMILESO=C1CC(=O)CC2(CCCC2)C1
InChIInChI=1S/C10H14O2/c11-8-5-9(12)7-10(6-8)3-1-2-4-10/h1-7H2
InChIKeyOSKDRFHEYJSVBB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.87
Rot. Bonds

About spiro[4.5]decane-7,9-dione

spiro[4.5]decane-7,9-dione (PubChem CID 4831594) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is spiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Namespiro[4.5]decane-7,9-dione
PubChem CID4831594
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namespiro[4.5]decane-7,9-dione
SMILESO=C1CC(=O)CC2(CCCC2)C1
InChIInChI=1S/C10H14O2/c11-8-5-9(12)7-10(6-8)3-1-2-4-10/h1-7H2
InChIKeyOSKDRFHEYJSVBB-UHFFFAOYSA-N
XLogP1.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.87
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[4.5]decane-7,9-dione?
The IUPAC name of spiro[4.5]decane-7,9-dione (CID 4831594) is spiro[4.5]decane-7,9-dione.
What is the SMILES notation for spiro[4.5]decane-7,9-dione?
The canonical SMILES for spiro[4.5]decane-7,9-dione is O=C1CC(=O)CC2(CCCC2)C1.
What is the InChIKey of spiro[4.5]decane-7,9-dione?
The InChIKey is OSKDRFHEYJSVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-8-5-9(12)7-10(6-8)3-1-2-4-10/h1-7H2.
What are the key properties of spiro[4.5]decane-7,9-dione?
spiro[4.5]decane-7,9-dione has a molecular weight of 166.22 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]decane-7,9-dione is sourced from PubChem (CID 4831594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).