trimethylsilyl nonadecanoate

C22H46O2Si — CID 522538

IUPACtrimethylsilyl nonadecanoate
SMILESCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-25(2,3)4/h5-21H2,1-4H3
InChIKeyDQTLRECATIBSSN-UHFFFAOYSA-N
MW370.69 g/mol
LogP8.02
Rot. Bonds18

About trimethylsilyl nonadecanoate

trimethylsilyl nonadecanoate (PubChem CID 522538) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is trimethylsilyl nonadecanoate.

Molecular Properties

Compound Nametrimethylsilyl nonadecanoate
PubChem CID522538
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Nametrimethylsilyl nonadecanoate
SMILESCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-25(2,3)4/h5-21H2,1-4H3
InChIKeyDQTLRECATIBSSN-UHFFFAOYSA-N
XLogP8.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 58.02
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'}

Analyze trimethylsilyl nonadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl nonadecanoate?
The IUPAC name of trimethylsilyl nonadecanoate (CID 522538) is trimethylsilyl nonadecanoate.
What is the SMILES notation for trimethylsilyl nonadecanoate?
The canonical SMILES for trimethylsilyl nonadecanoate is CCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl nonadecanoate?
The InChIKey is DQTLRECATIBSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-25(2,3)4/h5-21H2,1-4H3.
What are the key properties of trimethylsilyl nonadecanoate?
trimethylsilyl nonadecanoate has a molecular weight of 370.69 g/mol, XLogP of 8.02, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl nonadecanoate is sourced from PubChem (CID 522538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).