tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone

C11H10O4 — CID 141160354

IUPACtricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone
SMILESO=C1CC(=O)C2CC1C1C(=O)CC(=O)C21
InChIInChI=1S/C11H10O4/c12-6-2-7(13)5-1-4(6)10-8(14)3-9(15)11(5)10/h4-5,10-11H,1-3H2
InChIKeyQBCKOLIPDJXEFG-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.06
Rot. Bonds

About tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone

tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone (PubChem CID 141160354) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone.

Molecular Properties

Compound Nametricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone
PubChem CID141160354
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Nametricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone
SMILESO=C1CC(=O)C2CC1C1C(=O)CC(=O)C21
InChIInChI=1S/C11H10O4/c12-6-2-7(13)5-1-4(6)10-8(14)3-9(15)11(5)10/h4-5,10-11H,1-3H2
InChIKeyQBCKOLIPDJXEFG-UHFFFAOYSA-N
XLogP-0.06
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone?
The IUPAC name of tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone (CID 141160354) is tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone.
What is the SMILES notation for tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone?
The canonical SMILES for tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone is O=C1CC(=O)C2CC1C1C(=O)CC(=O)C21.
What is the InChIKey of tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone?
The InChIKey is QBCKOLIPDJXEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-6-2-7(13)5-1-4(6)10-8(14)3-9(15)11(5)10/h4-5,10-11H,1-3H2.
What are the key properties of tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone?
tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone has a molecular weight of 206.20 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.1.02,6]undecane-3,5,8,10-tetrone is sourced from PubChem (CID 141160354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).