methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate

C11H23BrO4Si — CID 134934318

IUPACmethyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
SMILESCOC(=O)[C@H](Br)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23BrO4Si/c1-11(2,3)17(5,6)16-7-8(13)9(12)10(14)15-4/h8-9,13H,7H2,1-6H3/t8-,9-/m1/s1
InChIKeyAMJZZGYRSONRIP-RKDXNWHRSA-N
MW327.29 g/mol
LogP2.31
Rot. Bonds5

About methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate

methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate (PubChem CID 134934318) has the molecular formula C11H23BrO4Si and a molecular weight of 327.29 g/mol. Its IUPAC name is methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
PubChem CID134934318
Molecular FormulaC11H23BrO4Si
Molecular Weight327.29 g/mol
Exact Mass326.05
IUPAC Namemethyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
SMILESCOC(=O)[C@H](Br)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23BrO4Si/c1-11(2,3)17(5,6)16-7-8(13)9(12)10(14)15-4/h8-9,13H,7H2,1-6H3/t8-,9-/m1/s1
InChIKeyAMJZZGYRSONRIP-RKDXNWHRSA-N
XLogP2.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.31
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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Related Compounds

(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate
CID 11199155
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid
CID 170908001
methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate
CID 46939904
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
CID 124629533
methyl (E,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-4,5-dimethylhept-3-enoate
CID 11723324
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The IUPAC name of methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate (CID 134934318) is methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate.
What is the SMILES notation for methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The canonical SMILES for methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate is COC(=O)[C@H](Br)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The InChIKey is AMJZZGYRSONRIP-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H23BrO4Si/c1-11(2,3)17(5,6)16-7-8(13)9(12)10(14)15-4/h8-9,13H,7H2,1-6H3/t8-,9-/m1/s1.
What are the key properties of methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate has a molecular weight of 327.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate is sourced from PubChem (CID 134934318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).