trimethylsilyl tetracosanoate

C27H56O2Si — CID 522540

IUPACtrimethylsilyl tetracosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C27H56O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-30(2,3)4/h5-26H2,1-4H3
InChIKeyMFKGSZQXHZDMAM-UHFFFAOYSA-N
MW440.83 g/mol
LogP9.97
Rot. Bonds23

About trimethylsilyl tetracosanoate

trimethylsilyl tetracosanoate (PubChem CID 522540) has the molecular formula C27H56O2Si and a molecular weight of 440.83 g/mol. Its IUPAC name is trimethylsilyl tetracosanoate.

Molecular Properties

Compound Nametrimethylsilyl tetracosanoate
PubChem CID522540
Molecular FormulaC27H56O2Si
Molecular Weight440.83 g/mol
Exact Mass440.40
IUPAC Nametrimethylsilyl tetracosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C27H56O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-30(2,3)4/h5-26H2,1-4H3
InChIKeyMFKGSZQXHZDMAM-UHFFFAOYSA-N
XLogP9.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.83
LogP ≤ 59.97
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 tetracosanoate?
The IUPAC name of trimethylsilyl tetracosanoate (CID 522540) is trimethylsilyl tetracosanoate.
What is the SMILES notation for trimethylsilyl tetracosanoate?
The canonical SMILES for trimethylsilyl tetracosanoate is CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl tetracosanoate?
The InChIKey is MFKGSZQXHZDMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-30(2,3)4/h5-26H2,1-4H3.
What are the key properties of trimethylsilyl tetracosanoate?
trimethylsilyl tetracosanoate has a molecular weight of 440.83 g/mol, XLogP of 9.97, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl tetracosanoate is sourced from PubChem (CID 522540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).