ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate

C15H31BrO4Si — CID 11257573

IUPACethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
SMILESCCOC(=O)[C@](C)(Br)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31BrO4Si/c1-9-19-13(18)15(6,16)12(17)11(2)10-20-21(7,8)14(3,4)5/h11-12,17H,9-10H2,1-8H3/t11-,12-,15+/m0/s1
InChIKeyQCKQPLBYGYMNSV-SLEUVZQESA-N
MW383.40 g/mol
LogP3.72
Rot. Bonds7

About ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate

ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate (PubChem CID 11257573) has the molecular formula C15H31BrO4Si and a molecular weight of 383.40 g/mol. Its IUPAC name is ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
PubChem CID11257573
Molecular FormulaC15H31BrO4Si
Molecular Weight383.40 g/mol
Exact Mass382.12
IUPAC Nameethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
SMILESCCOC(=O)[C@](C)(Br)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31BrO4Si/c1-9-19-13(18)15(6,16)12(17)11(2)10-20-21(7,8)14(3,4)5/h11-12,17H,9-10H2,1-8H3/t11-,12-,15+/m0/s1
InChIKeyQCKQPLBYGYMNSV-SLEUVZQESA-N
XLogP3.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.72
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'}

Analyze ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
ethyl (2R,3S,4R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101128514
ethyl (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 134856614
tert-butyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 134880358
tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate
CID 135012525
(4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one
CID 142303787
4-[Tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid
CID 168963273
2-trimethylsilylethyl (2R,3S)-2-bromo-3-hydroxy-4-methylpentanoate
CID 10566985
2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
CID 10662325
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,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The IUPAC name of ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate (CID 11257573) is ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate.
What is the SMILES notation for ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The canonical SMILES for ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate is CCOC(=O)[C@](C)(Br)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The InChIKey is QCKQPLBYGYMNSV-SLEUVZQESA-N. The full InChI is InChI=1S/C15H31BrO4Si/c1-9-19-13(18)15(6,16)12(17)11(2)10-20-21(7,8)14(3,4)5/h11-12,17H,9-10H2,1-8H3/t11-,12-,15+/m0/s1.
What are the key properties of ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate has a molecular weight of 383.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate is sourced from PubChem (CID 11257573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).