trimethylsilyl heptadecanoate

C20H42O2Si — CID 521635

IUPACtrimethylsilyl heptadecanoate
SMILESCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C20H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(2,3)4/h5-19H2,1-4H3
InChIKeyKCEZRIREPDDPDI-UHFFFAOYSA-N
MW342.64 g/mol
LogP7.24
Rot. Bonds16

About trimethylsilyl heptadecanoate

trimethylsilyl heptadecanoate (PubChem CID 521635) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is trimethylsilyl heptadecanoate.

Molecular Properties

Compound Nametrimethylsilyl heptadecanoate
PubChem CID521635
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Nametrimethylsilyl heptadecanoate
SMILESCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C20H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(2,3)4/h5-19H2,1-4H3
InChIKeyKCEZRIREPDDPDI-UHFFFAOYSA-N
XLogP7.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 57.24
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 heptadecanoate?
The IUPAC name of trimethylsilyl heptadecanoate (CID 521635) is trimethylsilyl heptadecanoate.
What is the SMILES notation for trimethylsilyl heptadecanoate?
The canonical SMILES for trimethylsilyl heptadecanoate is CCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl heptadecanoate?
The InChIKey is KCEZRIREPDDPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(2,3)4/h5-19H2,1-4H3.
What are the key properties of trimethylsilyl heptadecanoate?
trimethylsilyl heptadecanoate has a molecular weight of 342.64 g/mol, XLogP of 7.24, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl heptadecanoate is sourced from PubChem (CID 521635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).