10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione

C8H6O6 — CID 90266402

IUPAC10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione
SMILESO=C1OC(=O)C2C1C1C(=O)OC(O)C21
InChIInChI=1S/C8H6O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-5,9H
InChIKeyKUYUMJCLIMPLRQ-UHFFFAOYSA-N
MW198.13 g/mol
LogP-1.58
Rot. Bonds

About 10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione

10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione (PubChem CID 90266402) has the molecular formula C8H6O6 and a molecular weight of 198.13 g/mol. Its IUPAC name is 10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione.

Molecular Properties

Compound Name10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione
PubChem CID90266402
Molecular FormulaC8H6O6
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione
SMILESO=C1OC(=O)C2C1C1C(=O)OC(O)C21
InChIInChI=1S/C8H6O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-5,9H
InChIKeyKUYUMJCLIMPLRQ-UHFFFAOYSA-N
XLogP-1.58
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione?
The IUPAC name of 10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione (CID 90266402) is 10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione.
What is the SMILES notation for 10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione?
The canonical SMILES for 10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione is O=C1OC(=O)C2C1C1C(=O)OC(O)C21.
What is the InChIKey of 10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione?
The InChIKey is KUYUMJCLIMPLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-5,9H.
What are the key properties of 10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione?
10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione has a molecular weight of 198.13 g/mol, XLogP of -1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione is sourced from PubChem (CID 90266402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).