9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione

C9H8O6 — CID 148993007

IUPAC9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione
SMILESO=C1OC(=O)C2C1CC1C(O)OC(=O)C12
InChIInChI=1S/C9H8O6/c10-6-2-1-3-5(4(2)8(12)14-6)9(13)15-7(3)11/h2-6,10H,1H2
InChIKeyPYBLBLQGKFJKCH-UHFFFAOYSA-N
MW212.16 g/mol
LogP-1.19
Rot. Bonds

About 9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione

9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione (PubChem CID 148993007) has the molecular formula C9H8O6 and a molecular weight of 212.16 g/mol. Its IUPAC name is 9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione.

Molecular Properties

Compound Name9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione
PubChem CID148993007
Molecular FormulaC9H8O6
Molecular Weight212.16 g/mol
Exact Mass212.03
IUPAC Name9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione
SMILESO=C1OC(=O)C2C1CC1C(O)OC(=O)C12
InChIInChI=1S/C9H8O6/c10-6-2-1-3-5(4(2)8(12)14-6)9(13)15-7(3)11/h2-6,10H,1H2
InChIKeyPYBLBLQGKFJKCH-UHFFFAOYSA-N
XLogP-1.19
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-1.19
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 9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione?
The IUPAC name of 9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione (CID 148993007) is 9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione.
What is the SMILES notation for 9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione?
The canonical SMILES for 9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione is O=C1OC(=O)C2C1CC1C(O)OC(=O)C12.
What is the InChIKey of 9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione?
The InChIKey is PYBLBLQGKFJKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O6/c10-6-2-1-3-5(4(2)8(12)14-6)9(13)15-7(3)11/h2-6,10H,1H2.
What are the key properties of 9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione?
9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione has a molecular weight of 212.16 g/mol, XLogP of -1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione is sourced from PubChem (CID 148993007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).