4-tris(trimethylsilyl)silylbutan-2-one

C13H34OSi4 — CID 11738676

IUPAC4-tris(trimethylsilyl)silylbutan-2-one
SMILESCC(=O)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H34OSi4/c1-13(14)11-12-18(15(2,3)4,16(5,6)7)17(8,9)10/h11-12H2,1-10H3
InChIKeyFTTXUPLREKZLEO-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.66
Rot. Bonds6

About 4-tris(trimethylsilyl)silylbutan-2-one

4-tris(trimethylsilyl)silylbutan-2-one (PubChem CID 11738676) has the molecular formula C13H34OSi4 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-tris(trimethylsilyl)silylbutan-2-one.

Molecular Properties

Compound Name4-tris(trimethylsilyl)silylbutan-2-one
PubChem CID11738676
Molecular FormulaC13H34OSi4
Molecular Weight318.76 g/mol
Exact Mass318.17
IUPAC Name4-tris(trimethylsilyl)silylbutan-2-one
SMILESCC(=O)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H34OSi4/c1-13(14)11-12-18(15(2,3)4,16(5,6)7)17(8,9)10/h11-12H2,1-10H3
InChIKeyFTTXUPLREKZLEO-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,2-Dimethyl-propionyl)-tris(trimethylsilyl)silane
CID 553601
1,1,2,2-Tetramethyldisilepan-5-one
CID 13022131
3-Pentanone, 1,5-bis(trimethylsilyl)-
CID 11481640
1-(Trimethylsilyl)butan-2-one
CID 13225580
4-(Trimethylsilyl)-2-butanone
CID 13407685
1-Triethylsilylpropan-2-one
CID 15033603
cis-(2S,3R)-2,3-bis(trimethylsilyl)cyclopropan-1-one
CID 11074423
2-Trimethylsilylpentan-3-one
CID 12465007
2-Tri(propan-2-yl)silylpentan-3-one
CID 13352597
cis-(2R,3S)-2,3-bis[diethyl(methyl)silyl]cyclopropan-1-one
CID 13807104
Bis(trimethylsilyl)-isopropylpivaloylsilane
CID 14115328
4-Triethyl-silylbutan-2-one
CID 129791444

Frequently Asked Questions

What is the IUPAC name of 4-tris(trimethylsilyl)silylbutan-2-one?
The IUPAC name of 4-tris(trimethylsilyl)silylbutan-2-one (CID 11738676) is 4-tris(trimethylsilyl)silylbutan-2-one.
What is the SMILES notation for 4-tris(trimethylsilyl)silylbutan-2-one?
The canonical SMILES for 4-tris(trimethylsilyl)silylbutan-2-one is CC(=O)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 4-tris(trimethylsilyl)silylbutan-2-one?
The InChIKey is FTTXUPLREKZLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H34OSi4/c1-13(14)11-12-18(15(2,3)4,16(5,6)7)17(8,9)10/h11-12H2,1-10H3.
What are the key properties of 4-tris(trimethylsilyl)silylbutan-2-one?
4-tris(trimethylsilyl)silylbutan-2-one has a molecular weight of 318.76 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tris(trimethylsilyl)silylbutan-2-one is sourced from PubChem (CID 11738676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).