1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one

C21H48O4Si3 — CID 14561919

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one
SMILESCCC(=O)C(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H48O4Si3/c1-15-18(22)21(25-26(8,9)10,16-23-27(11,12)19(2,3)4)17-24-28(13,14)20(5,6)7/h15-17H2,1-14H3
InChIKeyBDTMOLDLJKSFGQ-UHFFFAOYSA-N
MW448.87 g/mol
LogP6.60
Rot. Bonds10

About 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one

1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one (PubChem CID 14561919) has the molecular formula C21H48O4Si3 and a molecular weight of 448.87 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one
PubChem CID14561919
Molecular FormulaC21H48O4Si3
Molecular Weight448.87 g/mol
Exact Mass448.29
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one
SMILESCCC(=O)C(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H48O4Si3/c1-15-18(22)21(25-26(8,9)10,16-23-27(11,12)19(2,3)4)17-24-28(13,14)20(5,6)7/h15-17H2,1-14H3
InChIKeyBDTMOLDLJKSFGQ-UHFFFAOYSA-N
XLogP6.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.87
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one
CID 176777346
1-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one
CID 14561918
1,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-3-tri(propan-2-yl)silyloxybutan-2-one
CID 102264915

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one (CID 14561919) is 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one is CCC(=O)C(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one?
The InChIKey is BDTMOLDLJKSFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O4Si3/c1-15-18(22)21(25-26(8,9)10,16-23-27(11,12)19(2,3)4)17-24-28(13,14)20(5,6)7/h15-17H2,1-14H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one?
1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one has a molecular weight of 448.87 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one is sourced from PubChem (CID 14561919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).