3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one

C12H28O3Si2 — CID 91696622

IUPAC3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one
SMILESCC(C)(CO[Si](C)(C)C)C(=O)CO[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-12(2,10-15-17(6,7)8)11(13)9-14-16(3,4)5/h9-10H2,1-8H3
InChIKeyYUIJADYAZOZZRN-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.28
Rot. Bonds7

About 3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one

3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one (PubChem CID 91696622) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is 3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one
PubChem CID91696622
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Name3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one
SMILESCC(C)(CO[Si](C)(C)C)C(=O)CO[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-12(2,10-15-17(6,7)8)11(13)9-14-16(3,4)5/h9-10H2,1-8H3
InChIKeyYUIJADYAZOZZRN-UHFFFAOYSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.28
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

4-[Tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
CID 12098487
4-[(Trimethylsilyl)oxy]-3,3-bis{[(trimethylsilyl)oxy]methyl}butan-2-one
CID 91696713
4-[Methoxy(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
CID 57564626
1,4-Bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one
CID 11336529
1-[Tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
CID 11701393
3,3-Dimethyl-4-triethylsilyloxybutan-2-one
CID 12008020

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one?
The IUPAC name of 3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one (CID 91696622) is 3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one is CC(C)(CO[Si](C)(C)C)C(=O)CO[Si](C)(C)C.
What is the InChIKey of 3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one?
The InChIKey is YUIJADYAZOZZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-12(2,10-15-17(6,7)8)11(13)9-14-16(3,4)5/h9-10H2,1-8H3.
What are the key properties of 3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one?
3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one has a molecular weight of 276.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,4-bis(trimethylsilyloxy)butan-2-one is sourced from PubChem (CID 91696622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).