spiro[4.5]decane-6,8,10-trione

C10H12O3 — CID 141056738

IUPACspiro[4.5]decane-6,8,10-trione
SMILESO=C1CC(=O)C2(CCCC2)C(=O)C1
InChIInChI=1S/C10H12O3/c11-7-5-8(12)10(9(13)6-7)3-1-2-4-10/h1-6H2
InChIKeyLIEHTSHDTVEJCZ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.05
Rot. Bonds

About spiro[4.5]decane-6,8,10-trione

spiro[4.5]decane-6,8,10-trione (PubChem CID 141056738) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is spiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Namespiro[4.5]decane-6,8,10-trione
PubChem CID141056738
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namespiro[4.5]decane-6,8,10-trione
SMILESO=C1CC(=O)C2(CCCC2)C(=O)C1
InChIInChI=1S/C10H12O3/c11-7-5-8(12)10(9(13)6-7)3-1-2-4-10/h1-6H2
InChIKeyLIEHTSHDTVEJCZ-UHFFFAOYSA-N
XLogP1.05
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.05
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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Related Compounds

spiro[5.6]dodecane-5,12-dione
CID 534624
dispiro[5.1.58.36]hexadecane-14,16-dione
CID 163588226
spiro[13.14]octacosan-28-one
CID 12738452
spiro[2.5]octane-6,8-dione
CID 18755517
spiro[5.7]tridecane-9,13-dione
CID 155931279
8,11-diazaspiro[5.6]dodecane-7,12-dione
CID 82469216
7,9,17,18-tetraoxa-8-boranuidatrispiro[4.2.2.411.28.25]nonadecane-6,10,16,19-tetrone
CID 145196186
(9Z)-9-ethylidenespiro[4.4]nonan-4-one
CID 131431997
2-methyl-2-azaspiro[4.5]decane-1,6-dione
CID 121207625
2-azaspiro[4.4]nonan-4-one
CID 21494522
(5R)-9-methylidenespiro[4.4]nonan-4-one
CID 101143196
1-azaspiro[2.5]octane-4,6-dione
CID 175887547

Frequently Asked Questions

What is the IUPAC name of spiro[4.5]decane-6,8,10-trione?
The IUPAC name of spiro[4.5]decane-6,8,10-trione (CID 141056738) is spiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for spiro[4.5]decane-6,8,10-trione?
The canonical SMILES for spiro[4.5]decane-6,8,10-trione is O=C1CC(=O)C2(CCCC2)C(=O)C1.
What is the InChIKey of spiro[4.5]decane-6,8,10-trione?
The InChIKey is LIEHTSHDTVEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-7-5-8(12)10(9(13)6-7)3-1-2-4-10/h1-6H2.
What are the key properties of spiro[4.5]decane-6,8,10-trione?
spiro[4.5]decane-6,8,10-trione has a molecular weight of 180.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 141056738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).