5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone

C12H16O8 — CID 175887369

IUPAC5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
SMILESCC1(C)C(=O)OCOC(=O)C(C)(C)C(=O)OCOC1=O
InChIInChI=1S/C12H16O8/c1-11(2)7(13)17-5-19-9(15)12(3,4)10(16)20-6-18-8(11)14/h5-6H2,1-4H3
InChIKeyJFCCMWTUWAIMMR-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.14
Rot. Bonds

About 5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone

5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone (PubChem CID 175887369) has the molecular formula C12H16O8 and a molecular weight of 288.25 g/mol. Its IUPAC name is 5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone.

Molecular Properties

Compound Name5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
PubChem CID175887369
Molecular FormulaC12H16O8
Molecular Weight288.25 g/mol
Exact Mass288.08
IUPAC Name5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
SMILESCC1(C)C(=O)OCOC(=O)C(C)(C)C(=O)OCOC1=O
InChIInChI=1S/C12H16O8/c1-11(2)7(13)17-5-19-9(15)12(3,4)10(16)20-6-18-8(11)14/h5-6H2,1-4H3
InChIKeyJFCCMWTUWAIMMR-UHFFFAOYSA-N
XLogP0.14
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
The IUPAC name of 5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone (CID 175887369) is 5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone.
What is the SMILES notation for 5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
The canonical SMILES for 5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone is CC1(C)C(=O)OCOC(=O)C(C)(C)C(=O)OCOC1=O.
What is the InChIKey of 5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
The InChIKey is JFCCMWTUWAIMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O8/c1-11(2)7(13)17-5-19-9(15)12(3,4)10(16)20-6-18-8(11)14/h5-6H2,1-4H3.
What are the key properties of 5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone has a molecular weight of 288.25 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone is sourced from PubChem (CID 175887369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).