4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium

C8H4O6Y — CID 162249156

IUPAC4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium
SMILESO=C1OC(=O)C2C1C1C(=O)OC(=O)C21.[Y]
InChIInChI=1S/C8H4O6.Y/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12;/h1-4H;
InChIKeyZXTCLQXNFVTYAJ-UHFFFAOYSA-N
MW285.02 g/mol
LogP-1.37
Rot. Bonds

About 4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium

4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium (PubChem CID 162249156) has the molecular formula C8H4O6Y and a molecular weight of 285.02 g/mol. Its IUPAC name is 4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium.

Molecular Properties

Compound Name4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium
PubChem CID162249156
Molecular FormulaC8H4O6Y
Molecular Weight285.02 g/mol
Exact Mass284.91
IUPAC Name4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium
SMILESO=C1OC(=O)C2C1C1C(=O)OC(=O)C21.[Y]
InChIInChI=1S/C8H4O6.Y/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12;/h1-4H;
InChIKeyZXTCLQXNFVTYAJ-UHFFFAOYSA-N
XLogP-1.37
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.02
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
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 4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium?
The IUPAC name of 4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium (CID 162249156) is 4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium.
What is the SMILES notation for 4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium?
The canonical SMILES for 4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium is O=C1OC(=O)C2C1C1C(=O)OC(=O)C21.[Y].
What is the InChIKey of 4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium?
The InChIKey is ZXTCLQXNFVTYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4O6.Y/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12;/h1-4H;.
What are the key properties of 4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium?
4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium has a molecular weight of 285.02 g/mol, XLogP of -1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;yttrium is sourced from PubChem (CID 162249156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).