4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone

C10H6O6 — CID 12717041

IUPAC4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone
SMILESO=C1OC(=O)C2C1C1C3C(=O)OC(=O)C3C21
InChIInChI=1S/C10H6O6/c11-7-3-1-2(5(3)9(13)15-7)6-4(1)8(12)16-10(6)14/h1-6H
InChIKeyVHMONCLBWPFILU-UHFFFAOYSA-N
MW222.15 g/mol
LogP-1.12
Rot. Bonds

About 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone

4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone (PubChem CID 12717041) has the molecular formula C10H6O6 and a molecular weight of 222.15 g/mol. Its IUPAC name is 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone.

Molecular Properties

Compound Name4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone
PubChem CID12717041
Molecular FormulaC10H6O6
Molecular Weight222.15 g/mol
Exact Mass222.02
IUPAC Name4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone
SMILESO=C1OC(=O)C2C1C1C3C(=O)OC(=O)C3C21
InChIInChI=1S/C10H6O6/c11-7-3-1-2(5(3)9(13)15-7)6-4(1)8(12)16-10(6)14/h1-6H
InChIKeyVHMONCLBWPFILU-UHFFFAOYSA-N
XLogP-1.12
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone?
The IUPAC name of 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone (CID 12717041) is 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone.
What is the SMILES notation for 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone?
The canonical SMILES for 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone is O=C1OC(=O)C2C1C1C3C(=O)OC(=O)C3C21.
What is the InChIKey of 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone?
The InChIKey is VHMONCLBWPFILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O6/c11-7-3-1-2(5(3)9(13)15-7)6-4(1)8(12)16-10(6)14/h1-6H.
What are the key properties of 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone?
4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone has a molecular weight of 222.15 g/mol, XLogP of -1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone is sourced from PubChem (CID 12717041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).