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

C16H36O3Si2 — CID 173021749

IUPACmethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate
SMILESCOC(=O)[C@](O[Si](C)(C)C(C)(C)C)([SiH2]C(C)(C)C)C(C)C
InChIInChI=1S/C16H36O3Si2/c1-12(2)16(13(17)18-9,20-14(3,4)5)19-21(10,11)15(6,7)8/h12H,20H2,1-11H3/t16-/m1/s1
InChIKeyHKBOXRHJYZCXGP-MRXNPFEDSA-N
MW332.63 g/mol
LogP3.92
Rot. Bonds5

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

methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate (PubChem CID 173021749) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate
PubChem CID173021749
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Namemethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate
SMILESCOC(=O)[C@](O[Si](C)(C)C(C)(C)C)([SiH2]C(C)(C)C)C(C)C
InChIInChI=1S/C16H36O3Si2/c1-12(2)16(13(17)18-9,20-14(3,4)5)19-21(10,11)15(6,7)8/h12H,20H2,1-11H3/t16-/m1/s1
InChIKeyHKBOXRHJYZCXGP-MRXNPFEDSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate (CID 173021749) is methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate is COC(=O)[C@](O[Si](C)(C)C(C)(C)C)([SiH2]C(C)(C)C)C(C)C.
What is the InChIKey of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate?
The InChIKey is HKBOXRHJYZCXGP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-12(2)16(13(17)18-9,20-14(3,4)5)19-21(10,11)15(6,7)8/h12H,20H2,1-11H3/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate?
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate has a molecular weight of 332.63 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate is sourced from PubChem (CID 173021749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).