5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one

C18H34O4Si2 — CID 173018807

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one
SMILESC[SiH](C)OC(c1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1)C(C)(C)C
InChIInChI=1S/C18H34O4Si2/c1-17(2,3)16(21-23(7)8)14-11-13(19)15(12-20-14)22-24(9,10)18(4,5)6/h11-12,16,23H,1-10H3
InChIKeyJQTPBKXDIRTIKG-UHFFFAOYSA-N
MW370.64 g/mol
LogP5.11
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one

5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one (PubChem CID 173018807) 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-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one
PubChem CID173018807
Molecular FormulaC18H34O4Si2
Molecular Weight370.64 g/mol
Exact Mass370.20
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one
SMILESC[SiH](C)OC(c1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1)C(C)(C)C
InChIInChI=1S/C18H34O4Si2/c1-17(2,3)16(21-23(7)8)14-11-13(19)15(12-20-14)22-24(9,10)18(4,5)6/h11-12,16,23H,1-10H3
InChIKeyJQTPBKXDIRTIKG-UHFFFAOYSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one (CID 173018807) is 5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one is C[SiH](C)OC(c1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one?
The InChIKey is JQTPBKXDIRTIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si2/c1-17(2,3)16(21-23(7)8)14-11-13(19)15(12-20-14)22-24(9,10)18(4,5)6/h11-12,16,23H,1-10H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one?
5-[tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one has a molecular weight of 370.64 g/mol, XLogP of 5.11, 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-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one is sourced from PubChem (CID 173018807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).