3,4-dioxospiro[4.5]decane-8-carboxylic acid

C11H14O4 — CID 151324700

IUPAC3,4-dioxospiro[4.5]decane-8-carboxylic acid
SMILESO=C1CCC2(CCC(C(=O)O)CC2)C1=O
InChIInChI=1S/C11H14O4/c12-8-3-6-11(9(8)13)4-1-7(2-5-11)10(14)15/h7H,1-6H2,(H,14,15)
InChIKeyOHERPALELITCMY-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.18
Rot. Bonds1

About 3,4-dioxospiro[4.5]decane-8-carboxylic acid

3,4-dioxospiro[4.5]decane-8-carboxylic acid (PubChem CID 151324700) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3,4-dioxospiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3,4-dioxospiro[4.5]decane-8-carboxylic acid
PubChem CID151324700
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3,4-dioxospiro[4.5]decane-8-carboxylic acid
SMILESO=C1CCC2(CCC(C(=O)O)CC2)C1=O
InChIInChI=1S/C11H14O4/c12-8-3-6-11(9(8)13)4-1-7(2-5-11)10(14)15/h7H,1-6H2,(H,14,15)
InChIKeyOHERPALELITCMY-UHFFFAOYSA-N
XLogP1.18
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dioxospiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3,4-dioxospiro[4.5]decane-8-carboxylic acid (CID 151324700) is 3,4-dioxospiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3,4-dioxospiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3,4-dioxospiro[4.5]decane-8-carboxylic acid is O=C1CCC2(CCC(C(=O)O)CC2)C1=O.
What is the InChIKey of 3,4-dioxospiro[4.5]decane-8-carboxylic acid?
The InChIKey is OHERPALELITCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c12-8-3-6-11(9(8)13)4-1-7(2-5-11)10(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 3,4-dioxospiro[4.5]decane-8-carboxylic acid?
3,4-dioxospiro[4.5]decane-8-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dioxospiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 151324700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).