methyl 2-trimethylsilyloxytetracosanoate

C28H58O3Si — CID 524471

IUPACmethyl 2-trimethylsilyloxytetracosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C28H58O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28(29)30-2)31-32(3,4)5/h27H,6-26H2,1-5H3
InChIKeyIBDXNSNFZWQOOS-UHFFFAOYSA-N
MW470.86 g/mol
LogP9.59
Rot. Bonds24

About methyl 2-trimethylsilyloxytetracosanoate

methyl 2-trimethylsilyloxytetracosanoate (PubChem CID 524471) has the molecular formula C28H58O3Si and a molecular weight of 470.86 g/mol. Its IUPAC name is methyl 2-trimethylsilyloxytetracosanoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyloxytetracosanoate
PubChem CID524471
Molecular FormulaC28H58O3Si
Molecular Weight470.86 g/mol
Exact Mass470.42
IUPAC Namemethyl 2-trimethylsilyloxytetracosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C28H58O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28(29)30-2)31-32(3,4)5/h27H,6-26H2,1-5H3
InChIKeyIBDXNSNFZWQOOS-UHFFFAOYSA-N
XLogP9.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.86
LogP ≤ 59.59
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 methyl 2-trimethylsilyloxytetracosanoate?
The IUPAC name of methyl 2-trimethylsilyloxytetracosanoate (CID 524471) is methyl 2-trimethylsilyloxytetracosanoate.
What is the SMILES notation for methyl 2-trimethylsilyloxytetracosanoate?
The canonical SMILES for methyl 2-trimethylsilyloxytetracosanoate is CCCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-trimethylsilyloxytetracosanoate?
The InChIKey is IBDXNSNFZWQOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28(29)30-2)31-32(3,4)5/h27H,6-26H2,1-5H3.
What are the key properties of methyl 2-trimethylsilyloxytetracosanoate?
methyl 2-trimethylsilyloxytetracosanoate has a molecular weight of 470.86 g/mol, XLogP of 9.59, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyloxytetracosanoate is sourced from PubChem (CID 524471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).