2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate

C11H23BrO3Si — CID 10566985

IUPAC2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate
SMILESCC(C)[C@H](O)[C@@H](Br)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H23BrO3Si/c1-8(2)10(13)9(12)11(14)15-6-7-16(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeyWRFRLJBLGBDTSH-ZJUUUORDSA-N
MW311.29 g/mol
LogP2.65
Rot. Bonds6

About 2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate

2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate (PubChem CID 10566985) has the molecular formula C11H23BrO3Si and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate
PubChem CID10566985
Molecular FormulaC11H23BrO3Si
Molecular Weight311.29 g/mol
Exact Mass310.06
IUPAC Name2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate
SMILESCC(C)[C@H](O)[C@@H](Br)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H23BrO3Si/c1-8(2)10(13)9(12)11(14)15-6-7-16(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeyWRFRLJBLGBDTSH-ZJUUUORDSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,3S)-2-bromo-3-hydroxy-4-methylpentanoate
CID 10890828
ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11257573
ethyl (2R,3S,4R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101128514
tert-butyl (2S,3R)-2-bromo-3-hydroxy-2,4-dimethylpentanoate
CID 134896082
methyl (2R,3R)-2-bromo-3-hydroxy-4-methylpentanoate
CID 142645729
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 10861897
ethyl (2S,3R,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 10915958
ethyl (2S,3S)-2-bromo-3-hydroxy-2,4-dimethylpentanoate
CID 11021397
ethyl (2R,3R)-2-bromo-3-hydroxy-4,4-dimethylpentanoate
CID 11032380
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874
ethyl (2R,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11337649
ethyl (2S,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11728692

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate?
The IUPAC name of 2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate (CID 10566985) is 2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate.
What is the SMILES notation for 2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate?
The canonical SMILES for 2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate is CC(C)[C@H](O)[C@@H](Br)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate?
The InChIKey is WRFRLJBLGBDTSH-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23BrO3Si/c1-8(2)10(13)9(12)11(14)15-6-7-16(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of 2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate?
2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate has a molecular weight of 311.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate is sourced from PubChem (CID 10566985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).