methyl (5R)-5-triethylsilyloxyhexanoate

C13H28O3Si — CID 57332981

IUPACmethyl (5R)-5-triethylsilyloxyhexanoate
SMILESCC[Si](CC)(CC)O[C@H](C)CCCC(=O)OC
InChIInChI=1S/C13H28O3Si/c1-6-17(7-2,8-3)16-12(4)10-9-11-13(14)15-5/h12H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyHHQGAJLEBYENKB-GFCCVEGCSA-N
MW260.45 g/mol
LogP3.74
Rot. Bonds9

About methyl (5R)-5-triethylsilyloxyhexanoate

methyl (5R)-5-triethylsilyloxyhexanoate (PubChem CID 57332981) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl (5R)-5-triethylsilyloxyhexanoate.

Molecular Properties

Compound Namemethyl (5R)-5-triethylsilyloxyhexanoate
PubChem CID57332981
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl (5R)-5-triethylsilyloxyhexanoate
SMILESCC[Si](CC)(CC)O[C@H](C)CCCC(=O)OC
InChIInChI=1S/C13H28O3Si/c1-6-17(7-2,8-3)16-12(4)10-9-11-13(14)15-5/h12H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyHHQGAJLEBYENKB-GFCCVEGCSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.74
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
Methyl 5-trimethylsilyloxyeicosanoate
CID 129726579
5-Hydroxyhexanoic acid diTMS
CID 526007
Methyl 2-oxo-5-triethylsilyloxyhexanoate
CID 11334833
5-Triethylsilyloxy-epsilon-caprolactone
CID 129835249
Methyl 5-([tert-butyl(dimethyl)silyl]oxy)-4-methylhexanoate
CID 553326
Hexanoic acid, 5-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 598628
Methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate
CID 10516228
Ethyl 5(r)-t-butyldimethylsilyloxyhexanoate
CID 10516491
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 11139869
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate
CID 14350140
Ethyl 5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 21670466

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-triethylsilyloxyhexanoate?
The IUPAC name of methyl (5R)-5-triethylsilyloxyhexanoate (CID 57332981) is methyl (5R)-5-triethylsilyloxyhexanoate.
What is the SMILES notation for methyl (5R)-5-triethylsilyloxyhexanoate?
The canonical SMILES for methyl (5R)-5-triethylsilyloxyhexanoate is CC[Si](CC)(CC)O[C@H](C)CCCC(=O)OC.
What is the InChIKey of methyl (5R)-5-triethylsilyloxyhexanoate?
The InChIKey is HHQGAJLEBYENKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-6-17(7-2,8-3)16-12(4)10-9-11-13(14)15-5/h12H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of methyl (5R)-5-triethylsilyloxyhexanoate?
methyl (5R)-5-triethylsilyloxyhexanoate has a molecular weight of 260.45 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-triethylsilyloxyhexanoate is sourced from PubChem (CID 57332981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).