ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate

C23H48O3Si — CID 89405882

IUPACethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate
SMILESCCCCCCCCCCCCCC(O[Si](C)(C)CCCC)C(=O)OCC
InChIInChI=1S/C23H48O3Si/c1-6-9-11-12-13-14-15-16-17-18-19-20-22(23(24)25-8-3)26-27(4,5)21-10-7-2/h22H,6-21H2,1-5H3
InChIKeyTVZCWJYYUFHZOE-UHFFFAOYSA-N
MW400.72 g/mol
LogP7.64
Rot. Bonds19

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

ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate (PubChem CID 89405882) has the molecular formula C23H48O3Si and a molecular weight of 400.72 g/mol. Its IUPAC name is ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate.

Molecular Properties

Compound Nameethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate
PubChem CID89405882
Molecular FormulaC23H48O3Si
Molecular Weight400.72 g/mol
Exact Mass400.34
IUPAC Nameethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate
SMILESCCCCCCCCCCCCCC(O[Si](C)(C)CCCC)C(=O)OCC
InChIInChI=1S/C23H48O3Si/c1-6-9-11-12-13-14-15-16-17-18-19-20-22(23(24)25-8-3)26-27(4,5)21-10-7-2/h22H,6-21H2,1-5H3
InChIKeyTVZCWJYYUFHZOE-UHFFFAOYSA-N
XLogP7.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.72
LogP ≤ 57.64
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]oxypentadecanoate?
The IUPAC name of ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate (CID 89405882) is ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate.
What is the SMILES notation for ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate?
The canonical SMILES for ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate is CCCCCCCCCCCCCC(O[Si](C)(C)CCCC)C(=O)OCC.
What is the InChIKey of ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate?
The InChIKey is TVZCWJYYUFHZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O3Si/c1-6-9-11-12-13-14-15-16-17-18-19-20-22(23(24)25-8-3)26-27(4,5)21-10-7-2/h22H,6-21H2,1-5H3.
What are the key properties of ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate?
ethyl 2-[butyl(dimethyl)silyl]oxypentadecanoate has a molecular weight of 400.72 g/mol, XLogP of 7.64, 19 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]oxypentadecanoate is sourced from PubChem (CID 89405882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).