methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate

C13H28O3Si — CID 14264897

IUPACmethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC
InChIInChI=1S/C13H28O3Si/c1-9-11(10(2)12(14)15-6)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3/t10-,11-/m0/s1
InChIKeyLKFWBKILQLNLID-QWRGUYRKSA-N
MW260.45 g/mol
LogP3.60
Rot. Bonds5

About methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate

methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate (PubChem CID 14264897) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
PubChem CID14264897
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC
InChIInChI=1S/C13H28O3Si/c1-9-11(10(2)12(14)15-6)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3/t10-,11-/m0/s1
InChIKeyLKFWBKILQLNLID-QWRGUYRKSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.60
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 (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
dimethyl 2-[(2S,4S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylhexyl]propanedioate
CID 11235051
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
(3S,4S,8R,9R,10S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyl-9-triethylsilyloxydodecane-5,7-dione
CID 11649235
(3R,4R,8R,9R,10S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyl-9-triethylsilyloxydodecane-5,7-dione
CID 11540838
methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 10248295
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate?
The IUPAC name of methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate (CID 14264897) is methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate.
What is the SMILES notation for methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate?
The canonical SMILES for methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate?
The InChIKey is LKFWBKILQLNLID-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-9-11(10(2)12(14)15-6)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3/t10-,11-/m0/s1.
What are the key properties of methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate?
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate has a molecular weight of 260.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate is sourced from PubChem (CID 14264897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).