tris(trimethylsilyloxy)silyl 2-methylbutanoate

C14H36O5Si4 — CID 54056564

IUPACtris(trimethylsilyloxy)silyl 2-methylbutanoate
SMILESCCC(C)C(=O)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H36O5Si4/c1-12-13(2)14(15)16-23(17-20(3,4)5,18-21(6,7)8)19-22(9,10)11/h13H,12H2,1-11H3
InChIKeyWDZWNPJGBWJIQP-UHFFFAOYSA-N
MW396.78 g/mol
LogP4.57
Rot. Bonds9

About tris(trimethylsilyloxy)silyl 2-methylbutanoate

tris(trimethylsilyloxy)silyl 2-methylbutanoate (PubChem CID 54056564) has the molecular formula C14H36O5Si4 and a molecular weight of 396.78 g/mol. Its IUPAC name is tris(trimethylsilyloxy)silyl 2-methylbutanoate.

Molecular Properties

Compound Nametris(trimethylsilyloxy)silyl 2-methylbutanoate
PubChem CID54056564
Molecular FormulaC14H36O5Si4
Molecular Weight396.78 g/mol
Exact Mass396.16
IUPAC Nametris(trimethylsilyloxy)silyl 2-methylbutanoate
SMILESCCC(C)C(=O)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H36O5Si4/c1-12-13(2)14(15)16-23(17-20(3,4)5,18-21(6,7)8)19-22(9,10)11/h13H,12H2,1-11H3
InChIKeyWDZWNPJGBWJIQP-UHFFFAOYSA-N
XLogP4.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.78
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Butanoic acid, 3-methyl-, trimethylsilyl ester
CID 187882
Ethylmalonic acid, bis(trimethylsilyl) ester
CID 521657
Trimethylsilyl 2-methylbutanoate
CID 521654
Trimethylsilyl 2-ethylbutanoate
CID 13813130
[Butanoyloxy(dimethyl)silyl] butanoate
CID 57902384
Butanedioic acid, methyl-, bis(trimethylsilyl) ester
CID 521658
Butanedioic acid, 2,3-dimethyl-, bis(trimethylsilyl) ester
CID 521659
tert-Butyl(dimethyl)silyl 3-methylbutanoate
CID 528095
Bis[tert-butyl(dimethyl)silyl] 2-methylsuccinate
CID 528584
Bis[tert-butyl(dimethyl)silyl] 2-ethylmalonate
CID 553064
[Dimethyl(2-methylpropanoyloxy)silyl] 2-methylpropanoate
CID 170847746
Triethylsilyl 3-methylbutanoate
CID 170847747

Frequently Asked Questions

What is the IUPAC name of tris(trimethylsilyloxy)silyl 2-methylbutanoate?
The IUPAC name of tris(trimethylsilyloxy)silyl 2-methylbutanoate (CID 54056564) is tris(trimethylsilyloxy)silyl 2-methylbutanoate.
What is the SMILES notation for tris(trimethylsilyloxy)silyl 2-methylbutanoate?
The canonical SMILES for tris(trimethylsilyloxy)silyl 2-methylbutanoate is CCC(C)C(=O)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tris(trimethylsilyloxy)silyl 2-methylbutanoate?
The InChIKey is WDZWNPJGBWJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H36O5Si4/c1-12-13(2)14(15)16-23(17-20(3,4)5,18-21(6,7)8)19-22(9,10)11/h13H,12H2,1-11H3.
What are the key properties of tris(trimethylsilyloxy)silyl 2-methylbutanoate?
tris(trimethylsilyloxy)silyl 2-methylbutanoate has a molecular weight of 396.78 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylsilyloxy)silyl 2-methylbutanoate is sourced from PubChem (CID 54056564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).