1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

C12H12O6 — CID 3480590

IUPAC1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESCC12C(=O)OC(=O)C1(C)C1(C)C(=O)OC(=O)C21C
InChIInChI=1S/C12H12O6/c1-9-5(13)17-6(14)10(9,2)12(4)8(16)18-7(15)11(9,12)3/h1-4H3
InChIKeyGTDPSWPPOUPBNX-UHFFFAOYSA-N
MW252.22 g/mol
LogP0.19
Rot. Bonds

About 1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (PubChem CID 3480590) has the molecular formula C12H12O6 and a molecular weight of 252.22 g/mol. Its IUPAC name is 1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.

Molecular Properties

Compound Name1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
PubChem CID3480590
Molecular FormulaC12H12O6
Molecular Weight252.22 g/mol
Exact Mass252.06
IUPAC Name1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESCC12C(=O)OC(=O)C1(C)C1(C)C(=O)OC(=O)C21C
InChIInChI=1S/C12H12O6/c1-9-5(13)17-6(14)10(9,2)12(4)8(16)18-7(15)11(9,12)3/h1-4H3
InChIKeyGTDPSWPPOUPBNX-UHFFFAOYSA-N
XLogP0.19
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 50.19
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 1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The IUPAC name of 1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (CID 3480590) is 1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.
What is the SMILES notation for 1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The canonical SMILES for 1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is CC12C(=O)OC(=O)C1(C)C1(C)C(=O)OC(=O)C21C.
What is the InChIKey of 1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The InChIKey is GTDPSWPPOUPBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O6/c1-9-5(13)17-6(14)10(9,2)12(4)8(16)18-7(15)11(9,12)3/h1-4H3.
What are the key properties of 1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone has a molecular weight of 252.22 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is sourced from PubChem (CID 3480590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).