1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one

C17H38O3Si2 — CID 86673008

IUPAC1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one
SMILESCC(C)(C)[Si](C)(C)OCCC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-13-11-15(18)12-14-20-22(9,10)17(4,5)6/h11-14H2,1-10H3
InChIKeyWBNVQJMWUFDWRC-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.38
Rot. Bonds8

About 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one

1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one (PubChem CID 86673008) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one.

Molecular Properties

Compound Name1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one
PubChem CID86673008
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one
SMILESCC(C)(C)[Si](C)(C)OCCC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-13-11-15(18)12-14-20-22(9,10)17(4,5)6/h11-14H2,1-10H3
InChIKeyWBNVQJMWUFDWRC-UHFFFAOYSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one?
The IUPAC name of 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one (CID 86673008) is 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one.
What is the SMILES notation for 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one?
The canonical SMILES for 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one is CC(C)(C)[Si](C)(C)OCCC(=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one?
The InChIKey is WBNVQJMWUFDWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-13-11-15(18)12-14-20-22(9,10)17(4,5)6/h11-14H2,1-10H3.
What are the key properties of 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one?
1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one has a molecular weight of 346.66 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-3-one is sourced from PubChem (CID 86673008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).