trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate

C26H56O3Si2 — CID 91738308

IUPACtrimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H56O3Si2/c1-22(2)15-12-16-23(3)17-13-18-24(4)19-14-20-26(5,29-31(9,10)11)21-25(27)28-30(6,7)8/h22-24H,12-21H2,1-11H3
InChIKeyNRUYEYALIOBZJE-UHFFFAOYSA-N
MW472.90 g/mol
LogP8.80
Rot. Bonds17

About trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate

trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate (PubChem CID 91738308) has the molecular formula C26H56O3Si2 and a molecular weight of 472.90 g/mol. Its IUPAC name is trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Nametrimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate
PubChem CID91738308
Molecular FormulaC26H56O3Si2
Molecular Weight472.90 g/mol
Exact Mass472.38
IUPAC Nametrimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H56O3Si2/c1-22(2)15-12-16-23(3)17-13-18-24(4)19-14-20-26(5,29-31(9,10)11)21-25(27)28-30(6,7)8/h22-24H,12-21H2,1-11H3
InChIKeyNRUYEYALIOBZJE-UHFFFAOYSA-N
XLogP8.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Trimethylsilyl 3,7,11,15-tetramethylhexadecanoate
CID 594295
Trimethylsilyl 10-methyldodecanoate
CID 526083
Trimethylsilyl 12-methyltetradecanoate
CID 526094
16-Methyloctadecanoic acid trimethylsilylester
CID 91747648
Methyl (R)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990780
Methyl (S)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990803
Docosanoic acid, 20-methyl, trimethylsilyl ester
CID 526082
Dodecanoic acid, 4-methyl, trimethylsilyl ester
CID 526086
Dodecanoic acid, 6-methyl, trimethylsilyl ester
CID 526087
Tetracosanoic acid, 22-methyl, trimethylsilyl ester
CID 526093
Tetradecanoic acid, 6-methyl, trimethylsilyl ester
CID 526097
Tetradecanoic acid, 8-methyl, trimethylsilyl ester
CID 526098

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate?
The IUPAC name of trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate (CID 91738308) is trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate?
The canonical SMILES for trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate is CC(C)CCCC(C)CCCC(C)CCCC(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate?
The InChIKey is NRUYEYALIOBZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O3Si2/c1-22(2)15-12-16-23(3)17-13-18-24(4)19-14-20-26(5,29-31(9,10)11)21-25(27)28-30(6,7)8/h22-24H,12-21H2,1-11H3.
What are the key properties of trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate?
trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate has a molecular weight of 472.90 g/mol, XLogP of 8.80, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 91738308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).