trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate

C11H26O3Si2 — CID 523685

IUPACtrimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate
SMILESCC(CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-10(9-13-15(2,3)4)8-11(12)14-16(5,6)7/h10H,8-9H2,1-7H3
InChIKeyKIVDVHUDXOLIMU-UHFFFAOYSA-N
MW262.50 g/mol
LogP3.24
Rot. Bonds6

About trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate

trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate (PubChem CID 523685) has the molecular formula C11H26O3Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate
PubChem CID523685
Molecular FormulaC11H26O3Si2
Molecular Weight262.50 g/mol
Exact Mass262.14
IUPAC Nametrimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate
SMILESCC(CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-10(9-13-15(2,3)4)8-11(12)14-16(5,6)7/h10H,8-9H2,1-7H3
InChIKeyKIVDVHUDXOLIMU-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 53.24
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

Butanoic acid, 3-methyl-, trimethylsilyl ester
CID 187882
Trimethylsilyl 4-((trimethylsilyl)oxy)butanoate
CID 589994
4-[(Tert-butyldimethylsilyl)oxy]-3-methylbutanoic acid
CID 86063172
Trimethylsilyl 2-methylbutanoate
CID 521654
tert-Butyl(dimethyl)silyl 4-([tert-butyl(dimethyl)silyl]oxy)butanoate
CID 589997
Butanedioic acid, methyl-, bis(trimethylsilyl) ester
CID 521658
Butanedioic acid, 2,3-dimethyl-, bis(trimethylsilyl) ester
CID 521659
Trimethylsilyl 2-([(trimethylsilyl)oxy]methyl)butanoate
CID 528640
Methyl 4-trimethylsilyloxybutanoate
CID 13082825
Methyl 4-(((1,1-dimethylethyl)dimethylsilyl)oxy)butanoate
CID 15399104
4-Hydroxy-2-methylpentanoic acid, bis-TMS
CID 14440990
Trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutyrate
CID 553085

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate?
The IUPAC name of trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate (CID 523685) is trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate.
What is the SMILES notation for trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate?
The canonical SMILES for trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate is CC(CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate?
The InChIKey is KIVDVHUDXOLIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si2/c1-10(9-13-15(2,3)4)8-11(12)14-16(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate?
trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate has a molecular weight of 262.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-methyl-4-trimethylsilyloxybutanoate is sourced from PubChem (CID 523685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).