5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one

C18H34O4Si2 — CID 22937915

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C18H34O4Si2/c1-17(2,3)23(7,8)21-12-14-11-15(19)16(13-20-14)22-24(9,10)18(4,5)6/h11,13H,12H2,1-10H3
InChIKeyBEKNWHZFCZGWCT-UHFFFAOYSA-N
MW370.64 g/mol
LogP5.55
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one

5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one (PubChem CID 22937915) has the molecular formula C18H34O4Si2 and a molecular weight of 370.64 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
PubChem CID22937915
Molecular FormulaC18H34O4Si2
Molecular Weight370.64 g/mol
Exact Mass370.20
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C18H34O4Si2/c1-17(2,3)23(7,8)21-12-14-11-15(19)16(13-20-14)22-24(9,10)18(4,5)6/h11,13H,12H2,1-10H3
InChIKeyBEKNWHZFCZGWCT-UHFFFAOYSA-N
XLogP5.55
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.64
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one (CID 22937915) is 5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one is CC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
The InChIKey is BEKNWHZFCZGWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si2/c1-17(2,3)23(7,8)21-12-14-11-15(19)16(13-20-14)22-24(9,10)18(4,5)6/h11,13H,12H2,1-10H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one has a molecular weight of 370.64 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one is sourced from PubChem (CID 22937915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).