trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate

C11H26O3Si2 — CID 521571

IUPACtrimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate
SMILESCC(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-11(2,14-16(6,7)8)9-10(12)13-15(3,4)5/h9H2,1-8H3
InChIKeyCEMBCVWMQGTNRL-UHFFFAOYSA-N
MW262.50 g/mol
LogP3.38
Rot. Bonds5

About trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate

trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate (PubChem CID 521571) has the molecular formula C11H26O3Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate
PubChem CID521571
Molecular FormulaC11H26O3Si2
Molecular Weight262.50 g/mol
Exact Mass262.14
IUPAC Nametrimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate
SMILESCC(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-11(2,14-16(6,7)8)9-10(12)13-15(3,4)5/h9H2,1-8H3
InChIKeyCEMBCVWMQGTNRL-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate?
The IUPAC name of trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate (CID 521571) is trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate.
What is the SMILES notation for trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate?
The canonical SMILES for trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate is CC(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate?
The InChIKey is CEMBCVWMQGTNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si2/c1-11(2,14-16(6,7)8)9-10(12)13-15(3,4)5/h9H2,1-8H3.
What are the key properties of trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate?
trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate has a molecular weight of 262.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-methyl-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 521571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).