3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one

C17H38O3Si2 — CID 22244475

IUPAC3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
SMILESCC(=O)C(CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-14(18)15(20-22(10,11)17(5,6)7)12-13-19-21(8,9)16(2,3)4/h15H,12-13H2,1-11H3
InChIKeyURTMHUUKKKWXRK-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.38
Rot. Bonds7

About 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one

3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one (PubChem CID 22244475) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one.

Molecular Properties

Compound Name3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
PubChem CID22244475
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
SMILESCC(=O)C(CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-14(18)15(20-22(10,11)17(5,6)7)12-13-19-21(8,9)16(2,3)4/h15H,12-13H2,1-11H3
InChIKeyURTMHUUKKKWXRK-UHFFFAOYSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
The IUPAC name of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one (CID 22244475) is 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one.
What is the SMILES notation for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
The canonical SMILES for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one is CC(=O)C(CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
The InChIKey is URTMHUUKKKWXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-14(18)15(20-22(10,11)17(5,6)7)12-13-19-21(8,9)16(2,3)4/h15H,12-13H2,1-11H3.
What are the key properties of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one has a molecular weight of 346.66 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one is sourced from PubChem (CID 22244475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).