trimethylsilyl 20-methyldocosanoate

C26H54O2Si — CID 526082

IUPACtrimethylsilyl 20-methyldocosanoate
SMILESCCC(C)CCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C26H54O2Si/c1-6-25(2)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26(27)28-29(3,4)5/h25H,6-24H2,1-5H3
InChIKeyYBLOIIYVLMKTQR-UHFFFAOYSA-N
MW426.80 g/mol
LogP9.43
Rot. Bonds21

About trimethylsilyl 20-methyldocosanoate

trimethylsilyl 20-methyldocosanoate (PubChem CID 526082) has the molecular formula C26H54O2Si and a molecular weight of 426.80 g/mol. Its IUPAC name is trimethylsilyl 20-methyldocosanoate.

Molecular Properties

Compound Nametrimethylsilyl 20-methyldocosanoate
PubChem CID526082
Molecular FormulaC26H54O2Si
Molecular Weight426.80 g/mol
Exact Mass426.39
IUPAC Nametrimethylsilyl 20-methyldocosanoate
SMILESCCC(C)CCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C26H54O2Si/c1-6-25(2)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26(27)28-29(3,4)5/h25H,6-24H2,1-5H3
InChIKeyYBLOIIYVLMKTQR-UHFFFAOYSA-N
XLogP9.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.80
LogP ≤ 59.43
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 20-methyldocosanoate?
The IUPAC name of trimethylsilyl 20-methyldocosanoate (CID 526082) is trimethylsilyl 20-methyldocosanoate.
What is the SMILES notation for trimethylsilyl 20-methyldocosanoate?
The canonical SMILES for trimethylsilyl 20-methyldocosanoate is CCC(C)CCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 20-methyldocosanoate?
The InChIKey is YBLOIIYVLMKTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O2Si/c1-6-25(2)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26(27)28-29(3,4)5/h25H,6-24H2,1-5H3.
What are the key properties of trimethylsilyl 20-methyldocosanoate?
trimethylsilyl 20-methyldocosanoate has a molecular weight of 426.80 g/mol, XLogP of 9.43, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 20-methyldocosanoate is sourced from PubChem (CID 526082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).