trimethylsilyl icosanoate

C23H48O2Si — CID 521648

IUPACtrimethylsilyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C23H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h5-22H2,1-4H3
InChIKeyAYSGFBVOWSXJCN-UHFFFAOYSA-N
MW384.72 g/mol
LogP8.41
Rot. Bonds19

About trimethylsilyl icosanoate

trimethylsilyl icosanoate (PubChem CID 521648) has the molecular formula C23H48O2Si and a molecular weight of 384.72 g/mol. Its IUPAC name is trimethylsilyl icosanoate.

Molecular Properties

Compound Nametrimethylsilyl icosanoate
PubChem CID521648
Molecular FormulaC23H48O2Si
Molecular Weight384.72 g/mol
Exact Mass384.34
IUPAC Nametrimethylsilyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C23H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h5-22H2,1-4H3
InChIKeyAYSGFBVOWSXJCN-UHFFFAOYSA-N
XLogP8.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.72
LogP ≤ 58.41
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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Related Compounds

trimethylsilyl (E)-octadec-11-enoate
CID 5366419
trimethylsilyl 8-methyltetradecanoate
CID 526098
trimethylsilyl 10-methyltricosanoate
CID 91747658
trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
CID 91696446
trimethylsilyl tricosa-10,12-diynoate
CID 91696389
[dimethyl(propan-2-yl)silyl] hexadecanoate
CID 628588
trimethylsilyl (E)-12-methyloctadec-11-enoate
CID 91697180
[dimethyl(trimethylsilyl)silyl] heptanoate
CID 554818
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
[chloromethyl(dimethyl)silyl] octanoate
CID 554833
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl icosanoate?
The IUPAC name of trimethylsilyl icosanoate (CID 521648) is trimethylsilyl icosanoate.
What is the SMILES notation for trimethylsilyl icosanoate?
The canonical SMILES for trimethylsilyl icosanoate is CCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl icosanoate?
The InChIKey is AYSGFBVOWSXJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h5-22H2,1-4H3.
What are the key properties of trimethylsilyl icosanoate?
trimethylsilyl icosanoate has a molecular weight of 384.72 g/mol, XLogP of 8.41, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl icosanoate is sourced from PubChem (CID 521648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).