trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate

C12H28O3Si2 — CID 91696632

IUPACtrimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate
SMILESCCC(C)(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-9-12(2,10-14-16(3,4)5)11(13)15-17(6,7)8/h9-10H2,1-8H3
InChIKeySKHBEDLZTIHGFV-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.63
Rot. Bonds6

About trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate

trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate (PubChem CID 91696632) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate
PubChem CID91696632
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Nametrimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate
SMILESCCC(C)(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-9-12(2,10-14-16(3,4)5)11(13)15-17(6,7)8/h9-10H2,1-8H3
InChIKeySKHBEDLZTIHGFV-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.63
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 2-methyl-2-(trimethylsilyloxymethyl)butanoate?
The IUPAC name of trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate (CID 91696632) is trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate.
What is the SMILES notation for trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate?
The canonical SMILES for trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate is CCC(C)(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate?
The InChIKey is SKHBEDLZTIHGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-9-12(2,10-14-16(3,4)5)11(13)15-17(6,7)8/h9-10H2,1-8H3.
What are the key properties of trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate?
trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate has a molecular weight of 276.52 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)butanoate is sourced from PubChem (CID 91696632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).