11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione

C10H10O6 — CID 149376168

IUPAC11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione
SMILESO=C1OC(O)CC2C1CC1C(=O)OC(=O)C12
InChIInChI=1S/C10H10O6/c11-6-2-3-4(8(12)15-6)1-5-7(3)10(14)16-9(5)13/h3-7,11H,1-2H2
InChIKeyYKTQTACJHUYUHY-UHFFFAOYSA-N
MW226.18 g/mol
LogP-0.80
Rot. Bonds

About 11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione

11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione (PubChem CID 149376168) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione.

Molecular Properties

Compound Name11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione
PubChem CID149376168
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione
SMILESO=C1OC(O)CC2C1CC1C(=O)OC(=O)C12
InChIInChI=1S/C10H10O6/c11-6-2-3-4(8(12)15-6)1-5-7(3)10(14)16-9(5)13/h3-7,11H,1-2H2
InChIKeyYKTQTACJHUYUHY-UHFFFAOYSA-N
XLogP-0.80
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 ≤ 5-0.80
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-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione?
The IUPAC name of 11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione (CID 149376168) is 11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione.
What is the SMILES notation for 11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione?
The canonical SMILES for 11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione is O=C1OC(O)CC2C1CC1C(=O)OC(=O)C12.
What is the InChIKey of 11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione?
The InChIKey is YKTQTACJHUYUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c11-6-2-3-4(8(12)15-6)1-5-7(3)10(14)16-9(5)13/h3-7,11H,1-2H2.
What are the key properties of 11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione?
11-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione has a molecular weight of 226.18 g/mol, XLogP of -0.80, 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-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9-trione is sourced from PubChem (CID 149376168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).