5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid

C10H10O6 — CID 130365654

IUPAC5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid
SMILESO=C(O)C1C(=O)CC2(CC2)C(C(=O)O)C1=O
InChIInChI=1S/C10H10O6/c11-4-3-10(1-2-10)6(9(15)16)7(12)5(4)8(13)14/h5-6H,1-3H2,(H,13,14)(H,15,16)
InChIKeyXFGMOSPTTAXRPB-UHFFFAOYSA-N
MW226.18 g/mol
LogP-0.29
Rot. Bonds2

About 5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid

5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid (PubChem CID 130365654) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid.

Molecular Properties

Compound Name5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid
PubChem CID130365654
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid
SMILESO=C(O)C1C(=O)CC2(CC2)C(C(=O)O)C1=O
InChIInChI=1S/C10H10O6/c11-4-3-10(1-2-10)6(9(15)16)7(12)5(4)8(13)14/h5-6H,1-3H2,(H,13,14)(H,15,16)
InChIKeyXFGMOSPTTAXRPB-UHFFFAOYSA-N
XLogP-0.29
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6,8-dioxospiro[3.5]nonane-9-carboxylic acid
CID 21133242
(8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid
CID 129388763
6-oxospiro[2.5]octane-2-carboxylic acid
CID 84653004
3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid
CID 19354262
3-[(2-methylpropan-2-yl)oxycarbonyl]-8,10-dioxo-3-azaspiro[5.5]undecane-11-carboxylic acid
CID 172761368
(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 124639064
1,3,8-trioxo-4,4a,5,6,7,8a-hexahydronaphthalene-2-carboxylic acid
CID 152746056
3-oxocyclobutane-1,2-dicarboxylic acid
CID 135394914
3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid
CID 90908477
3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid
CID 83482975
2-formyl-3,6-dioxocyclohexane-1-carboxylic acid
CID 173148649
trans-methyl (1R,5R)-5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
CID 6543144

Frequently Asked Questions

What is the IUPAC name of 5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid?
The IUPAC name of 5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid (CID 130365654) is 5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid.
What is the SMILES notation for 5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid?
The canonical SMILES for 5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid is O=C(O)C1C(=O)CC2(CC2)C(C(=O)O)C1=O.
What is the InChIKey of 5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid?
The InChIKey is XFGMOSPTTAXRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c11-4-3-10(1-2-10)6(9(15)16)7(12)5(4)8(13)14/h5-6H,1-3H2,(H,13,14)(H,15,16).
What are the key properties of 5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid?
5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid has a molecular weight of 226.18 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid is sourced from PubChem (CID 130365654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).