trimethylsilyl undecanoate

C14H30O2Si — CID 523680

IUPACtrimethylsilyl undecanoate
SMILESCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O2Si/c1-5-6-7-8-9-10-11-12-13-14(15)16-17(2,3)4/h5-13H2,1-4H3
InChIKeyPVQUEUNCRLSHJP-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.90
Rot. Bonds10

About trimethylsilyl undecanoate

trimethylsilyl undecanoate (PubChem CID 523680) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is trimethylsilyl undecanoate.

Molecular Properties

Compound Nametrimethylsilyl undecanoate
PubChem CID523680
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Nametrimethylsilyl undecanoate
SMILESCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O2Si/c1-5-6-7-8-9-10-11-12-13-14(15)16-17(2,3)4/h5-13H2,1-4H3
InChIKeyPVQUEUNCRLSHJP-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.90
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 undecanoate?
The IUPAC name of trimethylsilyl undecanoate (CID 523680) is trimethylsilyl undecanoate.
What is the SMILES notation for trimethylsilyl undecanoate?
The canonical SMILES for trimethylsilyl undecanoate is CCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl undecanoate?
The InChIKey is PVQUEUNCRLSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-5-6-7-8-9-10-11-12-13-14(15)16-17(2,3)4/h5-13H2,1-4H3.
What are the key properties of trimethylsilyl undecanoate?
trimethylsilyl undecanoate has a molecular weight of 258.48 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl undecanoate is sourced from PubChem (CID 523680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).