ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate

C14H29BrO4Si — CID 11210874

IUPACethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
SMILESCCOC(=O)[C@@](C)(Br)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BrO4Si/c1-8-18-12(17)14(5,15)11(16)9-10-19-20(6,7)13(2,3)4/h11,16H,8-10H2,1-7H3/t11-,14+/m1/s1
InChIKeyZXDMNAALIXHHKL-RISCZKNCSA-N
MW369.37 g/mol
LogP3.48
Rot. Bonds7

About ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate

ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate (PubChem CID 11210874) has the molecular formula C14H29BrO4Si and a molecular weight of 369.37 g/mol. Its IUPAC name is ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
PubChem CID11210874
Molecular FormulaC14H29BrO4Si
Molecular Weight369.37 g/mol
Exact Mass368.10
IUPAC Nameethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
SMILESCCOC(=O)[C@@](C)(Br)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BrO4Si/c1-8-18-12(17)14(5,15)11(16)9-10-19-20(6,7)13(2,3)4/h11,16H,8-10H2,1-7H3/t11-,14+/m1/s1
InChIKeyZXDMNAALIXHHKL-RISCZKNCSA-N
XLogP3.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate?
The IUPAC name of ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate (CID 11210874) is ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate.
What is the SMILES notation for ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate?
The canonical SMILES for ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate is CCOC(=O)[C@@](C)(Br)[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate?
The InChIKey is ZXDMNAALIXHHKL-RISCZKNCSA-N. The full InChI is InChI=1S/C14H29BrO4Si/c1-8-18-12(17)14(5,15)11(16)9-10-19-20(6,7)13(2,3)4/h11,16H,8-10H2,1-7H3/t11-,14+/m1/s1.
What are the key properties of ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate?
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate has a molecular weight of 369.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate is sourced from PubChem (CID 11210874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).