trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate

C21H46O3Si2 — CID 91736907

IUPACtrimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate
SMILESCCC(C)CCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H46O3Si2/c1-9-19(2)16-14-12-10-11-13-15-17-20(23-25(3,4)5)18-21(22)24-26(6,7)8/h19-20H,9-18H2,1-8H3
InChIKeyITAOJRBGGXPNQI-UHFFFAOYSA-N
MW402.77 g/mol
LogP7.14
Rot. Bonds15

About trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate

trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate (PubChem CID 91736907) has the molecular formula C21H46O3Si2 and a molecular weight of 402.77 g/mol. Its IUPAC name is trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate.

Molecular Properties

Compound Nametrimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate
PubChem CID91736907
Molecular FormulaC21H46O3Si2
Molecular Weight402.77 g/mol
Exact Mass402.30
IUPAC Nametrimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate
SMILESCCC(C)CCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H46O3Si2/c1-9-19(2)16-14-12-10-11-13-15-17-20(23-25(3,4)5)18-21(22)24-26(6,7)8/h19-20H,9-18H2,1-8H3
InChIKeyITAOJRBGGXPNQI-UHFFFAOYSA-N
XLogP7.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 57.14
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 3-trimethylsilyloxydecanoate
CID 553117
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
Trimethylsilyl 3,7,11,15-tetramethylhexadecanoate
CID 594295
2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
Trimethylsilyl 10-methyldodecanoate
CID 526083
Trimethylsilyl 12-methyltetradecanoate
CID 526094
Bis(trimethylsilyl) 3-[(trimethylsilyl)oxy]dodecanedioate
CID 528647
Bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
CID 528648
3-Trimethylsiloxyoctanoic acid, trimethylsilyl ester
CID 553092
Decanedioic acid, 3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 553954
16-Methyloctadecanoic acid trimethylsilylester
CID 91747648
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate?
The IUPAC name of trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate (CID 91736907) is trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate.
What is the SMILES notation for trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate?
The canonical SMILES for trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate is CCC(C)CCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate?
The InChIKey is ITAOJRBGGXPNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O3Si2/c1-9-19(2)16-14-12-10-11-13-15-17-20(23-25(3,4)5)18-21(22)24-26(6,7)8/h19-20H,9-18H2,1-8H3.
What are the key properties of trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate?
trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate has a molecular weight of 402.77 g/mol, XLogP of 7.14, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 12-methyl-3-trimethylsilyloxytetradecanoate is sourced from PubChem (CID 91736907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).