trimethylsilyl 2-methylbutanoate

C8H18O2Si — CID 521654

IUPACtrimethylsilyl 2-methylbutanoate
SMILESCCC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-6-7(2)8(9)10-11(3,4)5/h7H,6H2,1-5H3
InChIKeyNYTDWQKKBSMLGY-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.41
Rot. Bonds3

About trimethylsilyl 2-methylbutanoate

trimethylsilyl 2-methylbutanoate (PubChem CID 521654) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is trimethylsilyl 2-methylbutanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methylbutanoate
PubChem CID521654
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Nametrimethylsilyl 2-methylbutanoate
SMILESCCC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-6-7(2)8(9)10-11(3,4)5/h7H,6H2,1-5H3
InChIKeyNYTDWQKKBSMLGY-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylbutanoate?
The IUPAC name of trimethylsilyl 2-methylbutanoate (CID 521654) is trimethylsilyl 2-methylbutanoate.
What is the SMILES notation for trimethylsilyl 2-methylbutanoate?
The canonical SMILES for trimethylsilyl 2-methylbutanoate is CCC(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methylbutanoate?
The InChIKey is NYTDWQKKBSMLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-6-7(2)8(9)10-11(3,4)5/h7H,6H2,1-5H3.
What are the key properties of trimethylsilyl 2-methylbutanoate?
trimethylsilyl 2-methylbutanoate has a molecular weight of 174.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methylbutanoate is sourced from PubChem (CID 521654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).