trimethylsilyl 5-trimethylsilyloxyhexanoate

C12H28O3Si2 — CID 526007

IUPACtrimethylsilyl 5-trimethylsilyloxyhexanoate
SMILESCC(CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-11(14-16(2,3)4)9-8-10-12(13)15-17(5,6)7/h11H,8-10H2,1-7H3
InChIKeyZBACSLBZHSAYHX-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.77
Rot. Bonds7

About trimethylsilyl 5-trimethylsilyloxyhexanoate

trimethylsilyl 5-trimethylsilyloxyhexanoate (PubChem CID 526007) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is trimethylsilyl 5-trimethylsilyloxyhexanoate.

Molecular Properties

Compound Nametrimethylsilyl 5-trimethylsilyloxyhexanoate
PubChem CID526007
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Nametrimethylsilyl 5-trimethylsilyloxyhexanoate
SMILESCC(CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-11(14-16(2,3)4)9-8-10-12(13)15-17(5,6)7/h11H,8-10H2,1-7H3
InChIKeyZBACSLBZHSAYHX-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.77
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

5-((Tert-butyldimethylsilyl)oxy)hexanoic acid
CID 123255894
Hexanedioic acid, 2-trimethylsilyloxy-, bis(trimethylsilyl) ester
CID 533402
3,4-Dideoxyhexaric acid, TMS
CID 523344
3,4-Dideoxyhexonic acid, tetrakis-TMS
CID 523345
2-Deoxyribonic acid, TMS
CID 91753756
6-Trimethylsiloxyhexanoic acid, trimethylsilyl ester
CID 590025
Hexanoic acid, 5-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 598628
Ethyl 5(r)-t-butyldimethylsilyloxyhexanoate
CID 10516491
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 11139869
Ethyl 5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 21670466
ethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 57734119
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid
CID 87751640

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 5-trimethylsilyloxyhexanoate?
The IUPAC name of trimethylsilyl 5-trimethylsilyloxyhexanoate (CID 526007) is trimethylsilyl 5-trimethylsilyloxyhexanoate.
What is the SMILES notation for trimethylsilyl 5-trimethylsilyloxyhexanoate?
The canonical SMILES for trimethylsilyl 5-trimethylsilyloxyhexanoate is CC(CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 5-trimethylsilyloxyhexanoate?
The InChIKey is ZBACSLBZHSAYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-11(14-16(2,3)4)9-8-10-12(13)15-17(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of trimethylsilyl 5-trimethylsilyloxyhexanoate?
trimethylsilyl 5-trimethylsilyloxyhexanoate has a molecular weight of 276.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5-trimethylsilyloxyhexanoate is sourced from PubChem (CID 526007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).