11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione

C11H10O6 — CID 129215324

IUPAC11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione
SMILESO=C1OC(=O)C2C3CC(C12)C1C(=O)OC(O)C31
InChIInChI=1S/C11H10O6/c12-8-4-2-1-3(6(4)10(14)16-8)7-5(2)9(13)17-11(7)15/h2-8,12H,1H2
InChIKeyVFYWMDPGXHUGGN-UHFFFAOYSA-N
MW238.19 g/mol
LogP-0.94
Rot. Bonds

About 11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione

11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione (PubChem CID 129215324) has the molecular formula C11H10O6 and a molecular weight of 238.19 g/mol. Its IUPAC name is 11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione.

Molecular Properties

Compound Name11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione
PubChem CID129215324
Molecular FormulaC11H10O6
Molecular Weight238.19 g/mol
Exact Mass238.05
IUPAC Name11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione
SMILESO=C1OC(=O)C2C3CC(C12)C1C(=O)OC(O)C31
InChIInChI=1S/C11H10O6/c12-8-4-2-1-3(6(4)10(14)16-8)7-5(2)9(13)17-11(7)15/h2-8,12H,1H2
InChIKeyVFYWMDPGXHUGGN-UHFFFAOYSA-N
XLogP-0.94
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-0.94
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 11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione?
The IUPAC name of 11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione (CID 129215324) is 11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione.
What is the SMILES notation for 11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione?
The canonical SMILES for 11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione is O=C1OC(=O)C2C3CC(C12)C1C(=O)OC(O)C31.
What is the InChIKey of 11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione?
The InChIKey is VFYWMDPGXHUGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O6/c12-8-4-2-1-3(6(4)10(14)16-8)7-5(2)9(13)17-11(7)15/h2-8,12H,1H2.
What are the key properties of 11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione?
11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione has a molecular weight of 238.19 g/mol, XLogP of -0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9-trione is sourced from PubChem (CID 129215324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).