trimethylsilyl 22-methyltetracosanoate

C28H58O2Si — CID 526093

IUPACtrimethylsilyl 22-methyltetracosanoate
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C28H58O2Si/c1-6-27(2)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28(29)30-31(3,4)5/h27H,6-26H2,1-5H3
InChIKeyLJKLCZXCHUJJHD-UHFFFAOYSA-N
MW454.86 g/mol
LogP10.21
Rot. Bonds23

About trimethylsilyl 22-methyltetracosanoate

trimethylsilyl 22-methyltetracosanoate (PubChem CID 526093) has the molecular formula C28H58O2Si and a molecular weight of 454.86 g/mol. Its IUPAC name is trimethylsilyl 22-methyltetracosanoate.

Molecular Properties

Compound Nametrimethylsilyl 22-methyltetracosanoate
PubChem CID526093
Molecular FormulaC28H58O2Si
Molecular Weight454.86 g/mol
Exact Mass454.42
IUPAC Nametrimethylsilyl 22-methyltetracosanoate
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C28H58O2Si/c1-6-27(2)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28(29)30-31(3,4)5/h27H,6-26H2,1-5H3
InChIKeyLJKLCZXCHUJJHD-UHFFFAOYSA-N
XLogP10.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.86
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethylsilyl 22-methyltetracosanoate?
The IUPAC name of trimethylsilyl 22-methyltetracosanoate (CID 526093) is trimethylsilyl 22-methyltetracosanoate.
What is the SMILES notation for trimethylsilyl 22-methyltetracosanoate?
The canonical SMILES for trimethylsilyl 22-methyltetracosanoate is CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 22-methyltetracosanoate?
The InChIKey is LJKLCZXCHUJJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O2Si/c1-6-27(2)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28(29)30-31(3,4)5/h27H,6-26H2,1-5H3.
What are the key properties of trimethylsilyl 22-methyltetracosanoate?
trimethylsilyl 22-methyltetracosanoate has a molecular weight of 454.86 g/mol, XLogP of 10.21, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 22-methyltetracosanoate is sourced from PubChem (CID 526093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).