[(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane

C12H23BrO2Si — CID 101143354

IUPAC[(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(Br)[C@H](C[C@H]1CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23BrO2Si/c1-9(13)11(7-10-8-14-10)15-16(5,6)12(2,3)4/h10-11H,1,7-8H2,2-6H3/t10-,11-/m0/s1
InChIKeyJQROSFZFGFCNDH-QWRGUYRKSA-N
MW307.30 g/mol
LogP4.07
Rot. Bonds5

About [(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane

[(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101143354) has the molecular formula C12H23BrO2Si and a molecular weight of 307.30 g/mol. Its IUPAC name is [(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101143354
Molecular FormulaC12H23BrO2Si
Molecular Weight307.30 g/mol
Exact Mass306.07
IUPAC Name[(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(Br)[C@H](C[C@H]1CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23BrO2Si/c1-9(13)11(7-10-8-14-10)15-16(5,6)12(2,3)4/h10-11H,1,7-8H2,2-6H3/t10-,11-/m0/s1
InChIKeyJQROSFZFGFCNDH-QWRGUYRKSA-N
XLogP4.07
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol
CID 132933670
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 46933569
(3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 101390740
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 56589789
tert-butyl-dimethyl-(2-methylhex-1-en-3-yloxy)silane
CID 101446444
tert-butyl-(5-iodo-2-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 53392287
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-4-(oxiran-2-yl)butan-2-yl]oxy-dimethylsilane
CID 87093292
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane (CID 101143354) is [(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane is C=C(Br)[C@H](C[C@H]1CO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JQROSFZFGFCNDH-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23BrO2Si/c1-9(13)11(7-10-8-14-10)15-16(5,6)12(2,3)4/h10-11H,1,7-8H2,2-6H3/t10-,11-/m0/s1.
What are the key properties of [(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
[(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 307.30 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101143354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).