hexyl 2-triethylsilylacetate

C14H30O2Si — CID 15033616

IUPAChexyl 2-triethylsilylacetate
SMILESCCCCCCOC(=O)C[Si](CC)(CC)CC
InChIInChI=1S/C14H30O2Si/c1-5-9-10-11-12-16-14(15)13-17(6-2,7-3)8-4/h5-13H2,1-4H3
InChIKeyQSCWITPURLYEGS-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.62
Rot. Bonds10

About hexyl 2-triethylsilylacetate

hexyl 2-triethylsilylacetate (PubChem CID 15033616) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is hexyl 2-triethylsilylacetate.

Molecular Properties

Compound Namehexyl 2-triethylsilylacetate
PubChem CID15033616
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Namehexyl 2-triethylsilylacetate
SMILESCCCCCCOC(=O)C[Si](CC)(CC)CC
InChIInChI=1S/C14H30O2Si/c1-5-9-10-11-12-16-14(15)13-17(6-2,7-3)8-4/h5-13H2,1-4H3
InChIKeyQSCWITPURLYEGS-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.62
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 hexyl 2-triethylsilylacetate?
The IUPAC name of hexyl 2-triethylsilylacetate (CID 15033616) is hexyl 2-triethylsilylacetate.
What is the SMILES notation for hexyl 2-triethylsilylacetate?
The canonical SMILES for hexyl 2-triethylsilylacetate is CCCCCCOC(=O)C[Si](CC)(CC)CC.
What is the InChIKey of hexyl 2-triethylsilylacetate?
The InChIKey is QSCWITPURLYEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-5-9-10-11-12-16-14(15)13-17(6-2,7-3)8-4/h5-13H2,1-4H3.
What are the key properties of hexyl 2-triethylsilylacetate?
hexyl 2-triethylsilylacetate has a molecular weight of 258.48 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-triethylsilylacetate is sourced from PubChem (CID 15033616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).