3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one

C11H20O3Si — CID 67838584

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one
SMILESCC(C)(C)[Si](C)(C)OC1COC=CC1=O
InChIInChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-10-8-13-7-6-9(10)12/h6-7,10H,8H2,1-5H3
InChIKeyXBIUSNQAPJNGPY-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.49
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one

3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one (PubChem CID 67838584) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one
PubChem CID67838584
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one
SMILESCC(C)(C)[Si](C)(C)OC1COC=CC1=O
InChIInChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-10-8-13-7-6-9(10)12/h6-7,10H,8H2,1-5H3
InChIKeyXBIUSNQAPJNGPY-UHFFFAOYSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one (CID 67838584) is 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one is CC(C)(C)[Si](C)(C)OC1COC=CC1=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one?
The InChIKey is XBIUSNQAPJNGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-10-8-13-7-6-9(10)12/h6-7,10H,8H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one?
3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one has a molecular weight of 228.36 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydropyran-4-one is sourced from PubChem (CID 67838584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).