3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one

C17H38O3Si2 — CID 14281427

IUPAC3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
SMILESCC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-13(18)15(20-22(11,12)17(6,7)8)14(2)19-21(9,10)16(3,4)5/h14-15H,1-12H3
InChIKeyQSHMPOSNWVVWPK-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.38
Rot. Bonds6

About 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one

3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one (PubChem CID 14281427) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one.

Molecular Properties

Compound Name3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
PubChem CID14281427
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
SMILESCC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-13(18)15(20-22(11,12)17(6,7)8)14(2)19-21(9,10)16(3,4)5/h14-15H,1-12H3
InChIKeyQSHMPOSNWVVWPK-UHFFFAOYSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
The IUPAC name of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one (CID 14281427) is 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one.
What is the SMILES notation for 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
The canonical SMILES for 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one is CC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
The InChIKey is QSHMPOSNWVVWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-13(18)15(20-22(11,12)17(6,7)8)14(2)19-21(9,10)16(3,4)5/h14-15H,1-12H3.
What are the key properties of 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one has a molecular weight of 346.66 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one is sourced from PubChem (CID 14281427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).