1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one

C16H36O3Si2 — CID 11336529

IUPAC1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-12-11-14(17)13-19-21(9,10)16(4,5)6/h11-13H2,1-10H3
InChIKeyNCLKPMVSGJJPHN-UHFFFAOYSA-N
MW332.63 g/mol
LogP4.99
Rot. Bonds7

About 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one

1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one (PubChem CID 11336529) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one.

Molecular Properties

Compound Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one
PubChem CID11336529
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-12-11-14(17)13-19-21(9,10)16(4,5)6/h11-13H2,1-10H3
InChIKeyNCLKPMVSGJJPHN-UHFFFAOYSA-N
XLogP4.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,8-Bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one
CID 12040186
2,2,6,6,9,9-Hexamethyl-3,8-dioxa-2,9-disiladecan-5-one
CID 91696622
3,4-Di(t-butyldimethylsilyloxy)pentan-2-one
CID 14281427
1,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-pentanone
CID 86673008
1,4-Bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione
CID 10712635
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 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one?
The IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one (CID 11336529) is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one.
What is the SMILES notation for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one?
The canonical SMILES for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one is CC(C)(C)[Si](C)(C)OCCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one?
The InChIKey is NCLKPMVSGJJPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-12-11-14(17)13-19-21(9,10)16(4,5)6/h11-13H2,1-10H3.
What are the key properties of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one?
1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one has a molecular weight of 332.63 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one is sourced from PubChem (CID 11336529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).