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

C12H26O3Si — CID 11128611

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C12H26O3Si/c1-9(2)10(11(13)14-6)15-16(7,8)12(3,4)5/h9-10H,1-8H3/t10-/m0/s1
InChIKeyKTRLPYMGWJYOSH-JTQLQIEISA-N
MW246.42 g/mol
LogP3.21
Rot. Bonds4

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

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate (PubChem CID 11128611) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
PubChem CID11128611
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C12H26O3Si/c1-9(2)10(11(13)14-6)15-16(7,8)12(3,4)5/h9-10H,1-8H3/t10-/m0/s1
InChIKeyKTRLPYMGWJYOSH-JTQLQIEISA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.21
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,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
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-methylpentanoate
CID 14264897
methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate
CID 11046348
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropanoylamino)butanoate
CID 142596258
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 102115680
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-methoxypropan-2-yl]oxypropanoate
CID 59279555

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate (CID 11128611) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate is COC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The InChIKey is KTRLPYMGWJYOSH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9(2)10(11(13)14-6)15-16(7,8)12(3,4)5/h9-10H,1-8H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate has a molecular weight of 246.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate is sourced from PubChem (CID 11128611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).