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

C18H40O4Si2 — CID 14561918

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one
SMILESCCC(=O)C(O)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-12-15(19)18(20,13-21-23(8,9)16(2,3)4)14-22-24(10,11)17(5,6)7/h20H,12-14H2,1-11H3
InChIKeyFIOJFCIBGIEDPY-UHFFFAOYSA-N
MW376.69 g/mol
LogP4.74
Rot. Bonds8

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

1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one (PubChem CID 14561918) has the molecular formula C18H40O4Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one
PubChem CID14561918
Molecular FormulaC18H40O4Si2
Molecular Weight376.69 g/mol
Exact Mass376.25
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one
SMILESCCC(=O)C(O)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-12-15(19)18(20,13-21-23(8,9)16(2,3)4)14-22-24(10,11)17(5,6)7/h20H,12-14H2,1-11H3
InChIKeyFIOJFCIBGIEDPY-UHFFFAOYSA-N
XLogP4.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.69
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Acetyl-ditrimethylsilyl-glycerol
CID 129777525
1-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one
CID 14561919
2-Hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal
CID 54541467
2-Hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal
CID 173276819
2-Hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanal
CID 173276886
1-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one
CID 10493749

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one (CID 14561918) is 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one is CCC(=O)C(O)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one?
The InChIKey is FIOJFCIBGIEDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O4Si2/c1-12-15(19)18(20,13-21-23(8,9)16(2,3)4)14-22-24(10,11)17(5,6)7/h20H,12-14H2,1-11H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one?
1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one has a molecular weight of 376.69 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 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-hydroxypentan-3-one is sourced from PubChem (CID 14561918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).