methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate

C26H58O5Si3 — CID 15600173

IUPACmethyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate
SMILESCOC(=O)C(CCCCCCC(CCCCCCCO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H58O5Si3/c1-28-26(27)25(31-34(8,9)10)22-18-14-13-17-21-24(30-33(5,6)7)20-16-12-11-15-19-23-29-32(2,3)4/h24-25H,11-23H2,1-10H3
InChIKeyCEPVGEWSZBEBIL-UHFFFAOYSA-N
MW535.00 g/mol
LogP8.13
Rot. Bonds21

About methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate

methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate (PubChem CID 15600173) has the molecular formula C26H58O5Si3 and a molecular weight of 535.00 g/mol. Its IUPAC name is methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate.

Molecular Properties

Compound Namemethyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate
PubChem CID15600173
Molecular FormulaC26H58O5Si3
Molecular Weight535.00 g/mol
Exact Mass534.36
IUPAC Namemethyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate
SMILESCOC(=O)C(CCCCCCC(CCCCCCCO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H58O5Si3/c1-28-26(27)25(31-34(8,9)10)22-18-14-13-17-21-24(30-33(5,6)7)20-16-12-11-15-19-23-29-32(2,3)4/h24-25H,11-23H2,1-10H3
InChIKeyCEPVGEWSZBEBIL-UHFFFAOYSA-N
XLogP8.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.00
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate?
The IUPAC name of methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate (CID 15600173) is methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate.
What is the SMILES notation for methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate?
The canonical SMILES for methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate is COC(=O)C(CCCCCCC(CCCCCCCO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate?
The InChIKey is CEPVGEWSZBEBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58O5Si3/c1-28-26(27)25(31-34(8,9)10)22-18-14-13-17-21-24(30-33(5,6)7)20-16-12-11-15-19-23-29-32(2,3)4/h24-25H,11-23H2,1-10H3.
What are the key properties of methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate?
methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate has a molecular weight of 535.00 g/mol, XLogP of 8.13, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,9,16-tris(trimethylsilyloxy)hexadecanoate is sourced from PubChem (CID 15600173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).