4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione

C10H10O6 — CID 129069842

IUPAC4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione
SMILESO=C1CC2(CC3CC2C(=O)OC3O)C(=O)O1
InChIInChI=1S/C10H10O6/c11-6-3-10(9(14)15-6)2-4-1-5(10)8(13)16-7(4)12/h4-5,7,12H,1-3H2
InChIKeyWPVQQHSBNPNTDK-UHFFFAOYSA-N
MW226.18 g/mol
LogP-0.65
Rot. Bonds

About 4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione

4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione (PubChem CID 129069842) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione.

Molecular Properties

Compound Name4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione
PubChem CID129069842
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione
SMILESO=C1CC2(CC3CC2C(=O)OC3O)C(=O)O1
InChIInChI=1S/C10H10O6/c11-6-3-10(9(14)15-6)2-4-1-5(10)8(13)16-7(4)12/h4-5,7,12H,1-3H2
InChIKeyWPVQQHSBNPNTDK-UHFFFAOYSA-N
XLogP-0.65
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.65
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 4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione?
The IUPAC name of 4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione (CID 129069842) is 4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione.
What is the SMILES notation for 4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione?
The canonical SMILES for 4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione is O=C1CC2(CC3CC2C(=O)OC3O)C(=O)O1.
What is the InChIKey of 4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione?
The InChIKey is WPVQQHSBNPNTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c11-6-3-10(9(14)15-6)2-4-1-5(10)8(13)16-7(4)12/h4-5,7,12H,1-3H2.
What are the key properties of 4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione?
4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione has a molecular weight of 226.18 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione is sourced from PubChem (CID 129069842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).