trimethylsilyl butanoate

C7H16O2Si — CID 519322

IUPACtrimethylsilyl butanoate
SMILESCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C7H16O2Si/c1-5-6-7(8)9-10(2,3)4/h5-6H2,1-4H3
InChIKeyYOXUKTJZXUYZMV-UHFFFAOYSA-N
MW160.29 g/mol
LogP2.16
Rot. Bonds3

About trimethylsilyl butanoate

trimethylsilyl butanoate (PubChem CID 519322) has the molecular formula C7H16O2Si and a molecular weight of 160.29 g/mol. Its IUPAC name is trimethylsilyl butanoate.

Molecular Properties

Compound Nametrimethylsilyl butanoate
PubChem CID519322
Molecular FormulaC7H16O2Si
Molecular Weight160.29 g/mol
Exact Mass160.09
IUPAC Nametrimethylsilyl butanoate
SMILESCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C7H16O2Si/c1-5-6-7(8)9-10(2,3)4/h5-6H2,1-4H3
InChIKeyYOXUKTJZXUYZMV-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 52.16
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 butanoate?
The IUPAC name of trimethylsilyl butanoate (CID 519322) is trimethylsilyl butanoate.
What is the SMILES notation for trimethylsilyl butanoate?
The canonical SMILES for trimethylsilyl butanoate is CCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl butanoate?
The InChIKey is YOXUKTJZXUYZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2Si/c1-5-6-7(8)9-10(2,3)4/h5-6H2,1-4H3.
What are the key properties of trimethylsilyl butanoate?
trimethylsilyl butanoate has a molecular weight of 160.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl butanoate is sourced from PubChem (CID 519322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).