10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid

C14H6O6 — CID 143137573

IUPAC10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid
SMILESO=Cc1ccc2c3c(ccc(C(=O)O)c13)C(=O)OC2=O
InChIInChI=1S/C14H6O6/c15-5-6-1-2-8-11-9(14(19)20-13(8)18)4-3-7(10(6)11)12(16)17/h1-5H,(H,16,17)
InChIKeyVOKQSVCEUQJUER-UHFFFAOYSA-N
MW270.20 g/mol
LogP1.66
Rot. Bonds2

About 10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid

10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid (PubChem CID 143137573) has the molecular formula C14H6O6 and a molecular weight of 270.20 g/mol. Its IUPAC name is 10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid.

Molecular Properties

Compound Name10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid
PubChem CID143137573
Molecular FormulaC14H6O6
Molecular Weight270.20 g/mol
Exact Mass270.02
IUPAC Name10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid
SMILESO=Cc1ccc2c3c(ccc(C(=O)O)c13)C(=O)OC2=O
InChIInChI=1S/C14H6O6/c15-5-6-1-2-8-11-9(14(19)20-13(8)18)4-3-7(10(6)11)12(16)17/h1-5H,(H,16,17)
InChIKeyVOKQSVCEUQJUER-UHFFFAOYSA-N
XLogP1.66
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid?
The IUPAC name of 10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid (CID 143137573) is 10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid.
What is the SMILES notation for 10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid?
The canonical SMILES for 10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid is O=Cc1ccc2c3c(ccc(C(=O)O)c13)C(=O)OC2=O.
What is the InChIKey of 10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid?
The InChIKey is VOKQSVCEUQJUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6O6/c15-5-6-1-2-8-11-9(14(19)20-13(8)18)4-3-7(10(6)11)12(16)17/h1-5H,(H,16,17).
What are the key properties of 10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid?
10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid has a molecular weight of 270.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid is sourced from PubChem (CID 143137573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).