6,8-dioxospiro[3.5]nonane-9-carboxylic acid

C10H12O4 — CID 21133242

IUPAC6,8-dioxospiro[3.5]nonane-9-carboxylic acid
SMILESO=C1CC(=O)C(C(=O)O)C2(CCC2)C1
InChIInChI=1S/C10H12O4/c11-6-4-7(12)8(9(13)14)10(5-6)2-1-3-10/h8H,1-5H2,(H,13,14)
InChIKeyQWAPXHWSRSXOPA-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.79
Rot. Bonds1

About 6,8-dioxospiro[3.5]nonane-9-carboxylic acid

6,8-dioxospiro[3.5]nonane-9-carboxylic acid (PubChem CID 21133242) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 6,8-dioxospiro[3.5]nonane-9-carboxylic acid.

Molecular Properties

Compound Name6,8-dioxospiro[3.5]nonane-9-carboxylic acid
PubChem CID21133242
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name6,8-dioxospiro[3.5]nonane-9-carboxylic acid
SMILESO=C1CC(=O)C(C(=O)O)C2(CCC2)C1
InChIInChI=1S/C10H12O4/c11-6-4-7(12)8(9(13)14)10(5-6)2-1-3-10/h8H,1-5H2,(H,13,14)
InChIKeyQWAPXHWSRSXOPA-UHFFFAOYSA-N
XLogP0.79
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylpropan-2-yl)oxycarbonyl]-8,10-dioxo-3-azaspiro[5.5]undecane-11-carboxylic acid
CID 172761368
5,7-dioxospiro[2.5]octane-6,8-dicarboxylic acid
CID 130365654
(8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid
CID 129388763
3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid
CID 19354262
6-oxo-7-azaspiro[3.5]nonane-9-carboxylic acid
CID 126847405
6-oxospiro[2.5]octane-2-carboxylic acid
CID 84653004
spiro[3.4]octane-8-carboxylic acid
CID 83905140
(4aS,9aS)-4a-hydroxy-5,6,7,8,9,9a-hexahydro-4H-benzo[7]annulene-1,3-dione
CID 139124857
cis-methyl (1S,2S)-2-hydroxy-4,6-dioxo-2-phenylcyclohexane-1-carboxylate
CID 165341801
methyl 2-methyl-4,6-dioxo-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 18755553
methyl 3,5-dioxobicyclo[4.2.0]octane-1-carboxylate
CID 54357445
10-acetyl-9-methylspiro[4.5]dec-8-en-7-one
CID 68723788

Frequently Asked Questions

What is the IUPAC name of 6,8-dioxospiro[3.5]nonane-9-carboxylic acid?
The IUPAC name of 6,8-dioxospiro[3.5]nonane-9-carboxylic acid (CID 21133242) is 6,8-dioxospiro[3.5]nonane-9-carboxylic acid.
What is the SMILES notation for 6,8-dioxospiro[3.5]nonane-9-carboxylic acid?
The canonical SMILES for 6,8-dioxospiro[3.5]nonane-9-carboxylic acid is O=C1CC(=O)C(C(=O)O)C2(CCC2)C1.
What is the InChIKey of 6,8-dioxospiro[3.5]nonane-9-carboxylic acid?
The InChIKey is QWAPXHWSRSXOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-6-4-7(12)8(9(13)14)10(5-6)2-1-3-10/h8H,1-5H2,(H,13,14).
What are the key properties of 6,8-dioxospiro[3.5]nonane-9-carboxylic acid?
6,8-dioxospiro[3.5]nonane-9-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dioxospiro[3.5]nonane-9-carboxylic acid is sourced from PubChem (CID 21133242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).