5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione

C11H20O5Si — CID 54403876

IUPAC5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione
SMILESCCC1(CC)C(=O)OC(O[Si](C)(C)C)OC1=O
InChIInChI=1S/C11H20O5Si/c1-6-11(7-2)8(12)14-10(15-9(11)13)16-17(3,4)5/h10H,6-7H2,1-5H3
InChIKeyVPHRTRJMAQHRNB-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.03
Rot. Bonds4

About 5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione

5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione (PubChem CID 54403876) has the molecular formula C11H20O5Si and a molecular weight of 260.36 g/mol. Its IUPAC name is 5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione
PubChem CID54403876
Molecular FormulaC11H20O5Si
Molecular Weight260.36 g/mol
Exact Mass260.11
IUPAC Name5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione
SMILESCCC1(CC)C(=O)OC(O[Si](C)(C)C)OC1=O
InChIInChI=1S/C11H20O5Si/c1-6-11(7-2)8(12)14-10(15-9(11)13)16-17(3,4)5/h10H,6-7H2,1-5H3
InChIKeyVPHRTRJMAQHRNB-UHFFFAOYSA-N
XLogP2.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione?
The IUPAC name of 5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione (CID 54403876) is 5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione?
The canonical SMILES for 5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione is CCC1(CC)C(=O)OC(O[Si](C)(C)C)OC1=O.
What is the InChIKey of 5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione?
The InChIKey is VPHRTRJMAQHRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5Si/c1-6-11(7-2)8(12)14-10(15-9(11)13)16-17(3,4)5/h10H,6-7H2,1-5H3.
What are the key properties of 5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione?
5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione has a molecular weight of 260.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione is sourced from PubChem (CID 54403876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).