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

C18H34O4Si2 — CID 152719551

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one
SMILESCC(C)(C)[SiH2]OC(C)(C)c1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C18H34O4Si2/c1-16(2,3)23-22-18(7,8)15-11-13(19)14(12-20-15)21-24(9,10)17(4,5)6/h11-12H,23H2,1-10H3
InChIKeyZVIDCPAQTJLUSY-UHFFFAOYSA-N
MW370.64 g/mol
LogP4.58
Rot. Bonds5

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

5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one (PubChem CID 152719551) 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-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one
PubChem CID152719551
Molecular FormulaC18H34O4Si2
Molecular Weight370.64 g/mol
Exact Mass370.20
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one
SMILESCC(C)(C)[SiH2]OC(C)(C)c1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C18H34O4Si2/c1-16(2,3)23-22-18(7,8)15-11-13(19)14(12-20-15)21-24(9,10)17(4,5)6/h11-12H,23H2,1-10H3
InChIKeyZVIDCPAQTJLUSY-UHFFFAOYSA-N
XLogP4.58
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.64
LogP ≤ 54.58
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-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one (CID 152719551) is 5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one is CC(C)(C)[SiH2]OC(C)(C)c1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one?
The InChIKey is ZVIDCPAQTJLUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si2/c1-16(2,3)23-22-18(7,8)15-11-13(19)14(12-20-15)21-24(9,10)17(4,5)6/h11-12H,23H2,1-10H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one?
5-[tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one has a molecular weight of 370.64 g/mol, XLogP of 4.58, 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-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one is sourced from PubChem (CID 152719551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).