trimethylsilyl hexadecanoate

C19H40O2Si — CID 521638

IUPACtrimethylsilyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C19H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h5-18H2,1-4H3
InChIKeyHKNNSWCACQFVIK-UHFFFAOYSA-N
MW328.61 g/mol
LogP6.85
Rot. Bonds15

About trimethylsilyl hexadecanoate

trimethylsilyl hexadecanoate (PubChem CID 521638) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is trimethylsilyl hexadecanoate.

Molecular Properties

Compound Nametrimethylsilyl hexadecanoate
PubChem CID521638
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Nametrimethylsilyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C19H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h5-18H2,1-4H3
InChIKeyHKNNSWCACQFVIK-UHFFFAOYSA-N
XLogP6.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.85
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 hexadecanoate?
The IUPAC name of trimethylsilyl hexadecanoate (CID 521638) is trimethylsilyl hexadecanoate.
What is the SMILES notation for trimethylsilyl hexadecanoate?
The canonical SMILES for trimethylsilyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl hexadecanoate?
The InChIKey is HKNNSWCACQFVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h5-18H2,1-4H3.
What are the key properties of trimethylsilyl hexadecanoate?
trimethylsilyl hexadecanoate has a molecular weight of 328.61 g/mol, XLogP of 6.85, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl hexadecanoate is sourced from PubChem (CID 521638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).