trimethylsilyl 20-trimethylsilyloxyicosanoate

C26H56O3Si2 — CID 86005632

IUPACtrimethylsilyl 20-trimethylsilyloxyicosanoate
SMILESC[Si](C)(C)OCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C26H56O3Si2/c1-30(2,3)28-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26(27)29-31(4,5)6/h7-25H2,1-6H3
InChIKeyWRKQVQNZSINVKD-UHFFFAOYSA-N
MW472.90 g/mol
LogP9.24
Rot. Bonds22

About trimethylsilyl 20-trimethylsilyloxyicosanoate

trimethylsilyl 20-trimethylsilyloxyicosanoate (PubChem CID 86005632) has the molecular formula C26H56O3Si2 and a molecular weight of 472.90 g/mol. Its IUPAC name is trimethylsilyl 20-trimethylsilyloxyicosanoate.

Molecular Properties

Compound Nametrimethylsilyl 20-trimethylsilyloxyicosanoate
PubChem CID86005632
Molecular FormulaC26H56O3Si2
Molecular Weight472.90 g/mol
Exact Mass472.38
IUPAC Nametrimethylsilyl 20-trimethylsilyloxyicosanoate
SMILESC[Si](C)(C)OCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C26H56O3Si2/c1-30(2,3)28-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26(27)29-31(4,5)6/h7-25H2,1-6H3
InChIKeyWRKQVQNZSINVKD-UHFFFAOYSA-N
XLogP9.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 stearate
CID 87777
Npc119807
CID 519592
Hexadecanic acid, trimethylsilyl ester
CID 521638
Npc267584
CID 521640
Trimethylsilyl tridecanoate
CID 519342
Trimethylsilyl octanoate
CID 521624
Trimethylsilyl decanoate
CID 521628
n-Pentanoic acid, trimethylsilyl ester
CID 523679
Undecanoic acid, trimethylsilyl ester
CID 523680
Trimethylsilyl heptanoate
CID 529222
Bis(trimethylsilyl) sebacate
CID 519558
Octanedioic acid, bis(trimethylsilyl) ester
CID 521138

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 20-trimethylsilyloxyicosanoate?
The IUPAC name of trimethylsilyl 20-trimethylsilyloxyicosanoate (CID 86005632) is trimethylsilyl 20-trimethylsilyloxyicosanoate.
What is the SMILES notation for trimethylsilyl 20-trimethylsilyloxyicosanoate?
The canonical SMILES for trimethylsilyl 20-trimethylsilyloxyicosanoate is C[Si](C)(C)OCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 20-trimethylsilyloxyicosanoate?
The InChIKey is WRKQVQNZSINVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O3Si2/c1-30(2,3)28-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26(27)29-31(4,5)6/h7-25H2,1-6H3.
What are the key properties of trimethylsilyl 20-trimethylsilyloxyicosanoate?
trimethylsilyl 20-trimethylsilyloxyicosanoate has a molecular weight of 472.90 g/mol, XLogP of 9.24, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 20-trimethylsilyloxyicosanoate is sourced from PubChem (CID 86005632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).