trimethylsilyl tridecanoate

C16H34O2Si — CID 519342

IUPACtrimethylsilyl tridecanoate
SMILESCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16(17)18-19(2,3)4/h5-15H2,1-4H3
InChIKeyUZUTZCYXYDHJAT-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.68
Rot. Bonds12

About trimethylsilyl tridecanoate

trimethylsilyl tridecanoate (PubChem CID 519342) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is trimethylsilyl tridecanoate.

Molecular Properties

Compound Nametrimethylsilyl tridecanoate
PubChem CID519342
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Nametrimethylsilyl tridecanoate
SMILESCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16(17)18-19(2,3)4/h5-15H2,1-4H3
InChIKeyUZUTZCYXYDHJAT-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.68
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 tridecanoate?
The IUPAC name of trimethylsilyl tridecanoate (CID 519342) is trimethylsilyl tridecanoate.
What is the SMILES notation for trimethylsilyl tridecanoate?
The canonical SMILES for trimethylsilyl tridecanoate is CCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl tridecanoate?
The InChIKey is UZUTZCYXYDHJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16(17)18-19(2,3)4/h5-15H2,1-4H3.
What are the key properties of trimethylsilyl tridecanoate?
trimethylsilyl tridecanoate has a molecular weight of 286.53 g/mol, XLogP of 5.68, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl tridecanoate is sourced from PubChem (CID 519342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).