2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone

C11H10O6 — CID 87424413

IUPAC2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone
SMILESCC1(C)C2C(=O)OC(=O)C3C2C(=O)OC(=O)C31
InChIInChI=1S/C11H10O6/c1-11(2)5-3-4(8(13)17-9(5)14)6(11)10(15)16-7(3)12/h3-6H,1-2H3
InChIKeyPYZICBXQSZKLND-UHFFFAOYSA-N
MW238.19 g/mol
LogP-0.34
Rot. Bonds

About 2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone

2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone (PubChem CID 87424413) has the molecular formula C11H10O6 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone.

Molecular Properties

Compound Name2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone
PubChem CID87424413
Molecular FormulaC11H10O6
Molecular Weight238.19 g/mol
Exact Mass238.05
IUPAC Name2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone
SMILESCC1(C)C2C(=O)OC(=O)C3C2C(=O)OC(=O)C31
InChIInChI=1S/C11H10O6/c1-11(2)5-3-4(8(13)17-9(5)14)6(11)10(15)16-7(3)12/h3-6H,1-2H3
InChIKeyPYZICBXQSZKLND-UHFFFAOYSA-N
XLogP-0.34
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
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 2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone?
The IUPAC name of 2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone (CID 87424413) is 2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone.
What is the SMILES notation for 2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone?
The canonical SMILES for 2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone is CC1(C)C2C(=O)OC(=O)C3C2C(=O)OC(=O)C31.
What is the InChIKey of 2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone?
The InChIKey is PYZICBXQSZKLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O6/c1-11(2)5-3-4(8(13)17-9(5)14)6(11)10(15)16-7(3)12/h3-6H,1-2H3.
What are the key properties of 2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone?
2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone has a molecular weight of 238.19 g/mol, XLogP of -0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,10-dioxatricyclo[5.4.0.03,8]undecane-4,6,9,11-tetrone is sourced from PubChem (CID 87424413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).