trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate

C11H26O3Si2 — CID 528640

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

About trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate

trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate (PubChem CID 528640) has the molecular formula C11H26O3Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-(trimethylsilyloxymethyl)butanoate
PubChem CID528640
Molecular FormulaC11H26O3Si2
Molecular Weight262.50 g/mol
Exact Mass262.14
IUPAC Nametrimethylsilyl 2-(trimethylsilyloxymethyl)butanoate
SMILESCCC(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-8-10(9-13-15(2,3)4)11(12)14-16(5,6)7/h10H,8-9H2,1-7H3
InChIKeyNOZIRIVQUPXLEI-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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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate?
The IUPAC name of trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate (CID 528640) is trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate.
What is the SMILES notation for trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate?
The canonical SMILES for trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate is CCC(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate?
The InChIKey is NOZIRIVQUPXLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si2/c1-8-10(9-13-15(2,3)4)11(12)14-16(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate?
trimethylsilyl 2-(trimethylsilyloxymethyl)butanoate 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 2-(trimethylsilyloxymethyl)butanoate is sourced from PubChem (CID 528640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).