trimethylsilyl 6-trimethylsilyloxyhexanoate

C12H28O3Si2 — CID 590025

IUPACtrimethylsilyl 6-trimethylsilyloxyhexanoate
SMILESC[Si](C)(C)OCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-16(2,3)14-11-9-7-8-10-12(13)15-17(4,5)6/h7-11H2,1-6H3
InChIKeyWHVZWIODEBZYEE-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.78
Rot. Bonds8

About trimethylsilyl 6-trimethylsilyloxyhexanoate

trimethylsilyl 6-trimethylsilyloxyhexanoate (PubChem CID 590025) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is trimethylsilyl 6-trimethylsilyloxyhexanoate.

Molecular Properties

Compound Nametrimethylsilyl 6-trimethylsilyloxyhexanoate
PubChem CID590025
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Nametrimethylsilyl 6-trimethylsilyloxyhexanoate
SMILESC[Si](C)(C)OCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-16(2,3)14-11-9-7-8-10-12(13)15-17(4,5)6/h7-11H2,1-6H3
InChIKeyWHVZWIODEBZYEE-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.78
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

Bis(trimethylsilyl) adipate
CID 87457
6-[(Tert-butyldimethylsilyl)oxy]hexanoic acid
CID 12717311
Hexanoic acid, trimethylsilyl ester
CID 518907
Trimethylsilyl heptanoate
CID 529222
Butyl triethylsilyl acetate
CID 125473299
Heptanedioic acid, bis(trimethylsilyl) ester
CID 521645
Methyl 6-(tert-butyldimethylsilyloxy)hexanoate
CID 11747359
Ethyl 6-((tert-butyldimethylsilyl)oxy)hexanoate
CID 125473289
[Fluoro(dimethyl)silyl] hexanoate
CID 173939897
Hexanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521552
3-Trimethylsiloxy(trimethylsilyl)caproate
CID 526006
5-Hydroxyhexanoic acid diTMS
CID 526007

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 6-trimethylsilyloxyhexanoate?
The IUPAC name of trimethylsilyl 6-trimethylsilyloxyhexanoate (CID 590025) is trimethylsilyl 6-trimethylsilyloxyhexanoate.
What is the SMILES notation for trimethylsilyl 6-trimethylsilyloxyhexanoate?
The canonical SMILES for trimethylsilyl 6-trimethylsilyloxyhexanoate is C[Si](C)(C)OCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 6-trimethylsilyloxyhexanoate?
The InChIKey is WHVZWIODEBZYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-16(2,3)14-11-9-7-8-10-12(13)15-17(4,5)6/h7-11H2,1-6H3.
What are the key properties of trimethylsilyl 6-trimethylsilyloxyhexanoate?
trimethylsilyl 6-trimethylsilyloxyhexanoate has a molecular weight of 276.52 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 6-trimethylsilyloxyhexanoate is sourced from PubChem (CID 590025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).