trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate

C12H28O3Si2 — CID 91747802

IUPACtrimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate
SMILESCC[C@H](O[Si](C)(C)C)[C@H](C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-9-11(14-16(3,4)5)10(2)12(13)15-17(6,7)8/h10-11H,9H2,1-8H3/t10-,11-/m0/s1
InChIKeyNYQQSMMILUJHAT-QWRGUYRKSA-N
MW276.52 g/mol
LogP3.63
Rot. Bonds6

About trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate

trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate (PubChem CID 91747802) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate
PubChem CID91747802
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Nametrimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate
SMILESCC[C@H](O[Si](C)(C)C)[C@H](C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-9-11(14-16(3,4)5)10(2)12(13)15-17(6,7)8/h10-11H,9H2,1-8H3/t10-,11-/m0/s1
InChIKeyNYQQSMMILUJHAT-QWRGUYRKSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.63
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

Methyl 2-methyl-3-[(trimethylsilyl)oxy]cyclopropane-1-carboxylate
CID 11447018
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
Methyl 2,2,4-trimethyl-3-trimethylsiloxyvalerate
CID 14763594
Trimethylsilyl 4-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 521553
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
Trimethylsilyl 2-([(trimethylsilyl)oxy]methyl)butanoate
CID 528640
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
n-Propylmalonic acid, bis(trimethylsilyl)-ester
CID 589980
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 10083872
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate?
The IUPAC name of trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate (CID 91747802) is trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate.
What is the SMILES notation for trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate?
The canonical SMILES for trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate is CC[C@H](O[Si](C)(C)C)[C@H](C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate?
The InChIKey is NYQQSMMILUJHAT-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-9-11(14-16(3,4)5)10(2)12(13)15-17(6,7)8/h10-11H,9H2,1-8H3/t10-,11-/m0/s1.
What are the key properties of trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate?
trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate has a molecular weight of 276.52 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,3S)-2-methyl-3-trimethylsilyloxypentanoate is sourced from PubChem (CID 91747802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).