triethylsilyl benzoate

C13H20O2Si — CID 11287829

IUPACtriethylsilyl benzoate
SMILESCC[Si](CC)(CC)OC(=O)c1ccccc1
InChIInChI=1S/C13H20O2Si/c1-4-16(5-2,6-3)15-13(14)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyBSECONLXOCDYBU-UHFFFAOYSA-N
MW236.39 g/mol
LogP3.85
Rot. Bonds5

About triethylsilyl benzoate

triethylsilyl benzoate (PubChem CID 11287829) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is triethylsilyl benzoate.

Molecular Properties

Compound Nametriethylsilyl benzoate
PubChem CID11287829
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Nametriethylsilyl benzoate
SMILESCC[Si](CC)(CC)OC(=O)c1ccccc1
InChIInChI=1S/C13H20O2Si/c1-4-16(5-2,6-3)15-13(14)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyBSECONLXOCDYBU-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 53.85
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 triethylsilyl benzoate?
The IUPAC name of triethylsilyl benzoate (CID 11287829) is triethylsilyl benzoate.
What is the SMILES notation for triethylsilyl benzoate?
The canonical SMILES for triethylsilyl benzoate is CC[Si](CC)(CC)OC(=O)c1ccccc1.
What is the InChIKey of triethylsilyl benzoate?
The InChIKey is BSECONLXOCDYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-4-16(5-2,6-3)15-13(14)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3.
What are the key properties of triethylsilyl benzoate?
triethylsilyl benzoate has a molecular weight of 236.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl benzoate is sourced from PubChem (CID 11287829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).