trimethylsilyl hexanoate

C9H20O2Si — CID 518907

IUPACtrimethylsilyl hexanoate
SMILESCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h5-8H2,1-4H3
InChIKeyCYXNJMDACJPPRR-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.94
Rot. Bonds5

About trimethylsilyl hexanoate

trimethylsilyl hexanoate (PubChem CID 518907) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is trimethylsilyl hexanoate.

Molecular Properties

Compound Nametrimethylsilyl hexanoate
PubChem CID518907
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nametrimethylsilyl hexanoate
SMILESCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h5-8H2,1-4H3
InChIKeyCYXNJMDACJPPRR-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl hexanoate?
The IUPAC name of trimethylsilyl hexanoate (CID 518907) is trimethylsilyl hexanoate.
What is the SMILES notation for trimethylsilyl hexanoate?
The canonical SMILES for trimethylsilyl hexanoate is CCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl hexanoate?
The InChIKey is CYXNJMDACJPPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h5-8H2,1-4H3.
What are the key properties of trimethylsilyl hexanoate?
trimethylsilyl hexanoate has a molecular weight of 188.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl hexanoate is sourced from PubChem (CID 518907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).