ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate

C21H44O3Si — CID 89405802

IUPACethyl 2-[butyl(dimethyl)silyl]oxytridecanoate
SMILESCCCCCCCCCCCC(O[Si](C)(C)CCCC)C(=O)OCC
InChIInChI=1S/C21H44O3Si/c1-6-9-11-12-13-14-15-16-17-18-20(21(22)23-8-3)24-25(4,5)19-10-7-2/h20H,6-19H2,1-5H3
InChIKeyUQORKPFZLGRABW-UHFFFAOYSA-N
MW372.67 g/mol
LogP6.86
Rot. Bonds17

About ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate

ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate (PubChem CID 89405802) has the molecular formula C21H44O3Si and a molecular weight of 372.67 g/mol. Its IUPAC name is ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate.

Molecular Properties

Compound Nameethyl 2-[butyl(dimethyl)silyl]oxytridecanoate
PubChem CID89405802
Molecular FormulaC21H44O3Si
Molecular Weight372.67 g/mol
Exact Mass372.31
IUPAC Nameethyl 2-[butyl(dimethyl)silyl]oxytridecanoate
SMILESCCCCCCCCCCCC(O[Si](C)(C)CCCC)C(=O)OCC
InChIInChI=1S/C21H44O3Si/c1-6-9-11-12-13-14-15-16-17-18-20(21(22)23-8-3)24-25(4,5)19-10-7-2/h20H,6-19H2,1-5H3
InChIKeyUQORKPFZLGRABW-UHFFFAOYSA-N
XLogP6.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate?
The IUPAC name of ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate (CID 89405802) is ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate.
What is the SMILES notation for ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate?
The canonical SMILES for ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate is CCCCCCCCCCCC(O[Si](C)(C)CCCC)C(=O)OCC.
What is the InChIKey of ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate?
The InChIKey is UQORKPFZLGRABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si/c1-6-9-11-12-13-14-15-16-17-18-20(21(22)23-8-3)24-25(4,5)19-10-7-2/h20H,6-19H2,1-5H3.
What are the key properties of ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate?
ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate has a molecular weight of 372.67 g/mol, XLogP of 6.86, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[butyl(dimethyl)silyl]oxytridecanoate is sourced from PubChem (CID 89405802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).