trimethylsilyl tetradecanoate

C17H36O2Si — CID 519592

IUPACtrimethylsilyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C17H36O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-20(2,3)4/h5-16H2,1-4H3
InChIKeyZRVCKPDUOGAPSZ-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.07
Rot. Bonds13

About trimethylsilyl tetradecanoate

trimethylsilyl tetradecanoate (PubChem CID 519592) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is trimethylsilyl tetradecanoate.

Molecular Properties

Compound Nametrimethylsilyl tetradecanoate
PubChem CID519592
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Nametrimethylsilyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C17H36O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-20(2,3)4/h5-16H2,1-4H3
InChIKeyZRVCKPDUOGAPSZ-UHFFFAOYSA-N
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 56.07
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 tetradecanoate?
The IUPAC name of trimethylsilyl tetradecanoate (CID 519592) is trimethylsilyl tetradecanoate.
What is the SMILES notation for trimethylsilyl tetradecanoate?
The canonical SMILES for trimethylsilyl tetradecanoate is CCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl tetradecanoate?
The InChIKey is ZRVCKPDUOGAPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-20(2,3)4/h5-16H2,1-4H3.
What are the key properties of trimethylsilyl tetradecanoate?
trimethylsilyl tetradecanoate has a molecular weight of 300.56 g/mol, XLogP of 6.07, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl tetradecanoate is sourced from PubChem (CID 519592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).