tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane

C21H38BNO5Si — CID 102361534

IUPACtert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane
SMILESCO[C@@H](C/C=C/B1OC(C)(C)C(C)(C)O1)c1coc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C21H38BNO5Si/c1-19(2,3)29(9,10)26-15-18-23-16(14-25-18)17(24-8)12-11-13-22-27-20(4,5)21(6,7)28-22/h11,13-14,17H,12,15H2,1-10H3/b13-11+/t17-/m0/s1
InChIKeyBXFCKQKKKGXUJD-HVJHFUJKSA-N
MW423.44 g/mol
LogP5.46
Rot. Bonds8

About tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane

tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane (PubChem CID 102361534) has the molecular formula C21H38BNO5Si and a molecular weight of 423.44 g/mol. Its IUPAC name is tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane
PubChem CID102361534
Molecular FormulaC21H38BNO5Si
Molecular Weight423.44 g/mol
Exact Mass423.26
IUPAC Nametert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane
SMILESCO[C@@H](C/C=C/B1OC(C)(C)C(C)(C)O1)c1coc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C21H38BNO5Si/c1-19(2,3)29(9,10)26-15-18-23-16(14-25-18)17(24-8)12-11-13-22-27-20(4,5)21(6,7)28-22/h11,13-14,17H,12,15H2,1-10H3/b13-11+/t17-/m0/s1
InChIKeyBXFCKQKKKGXUJD-HVJHFUJKSA-N
XLogP5.46
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
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CID 66820233
tert-butyl-dimethyl-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-yl]methoxy]silane
CID 155920954
tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
CID 102260350
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal
CID 11102770
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 90105259
tert-butyl-dimethyl-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methoxy]silane
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4,4,5,5-tetramethyl-2-[(E)-4-phenylmethoxypent-1-enyl]-1,3,2-dioxaborolane
CID 102178765
1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine
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2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine
CID 67364198
tert-butyl-[(4R)-7-(4-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane (CID 102361534) is tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane is CO[C@@H](C/C=C/B1OC(C)(C)C(C)(C)O1)c1coc(CO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane?
The InChIKey is BXFCKQKKKGXUJD-HVJHFUJKSA-N. The full InChI is InChI=1S/C21H38BNO5Si/c1-19(2,3)29(9,10)26-15-18-23-16(14-25-18)17(24-8)12-11-13-22-27-20(4,5)21(6,7)28-22/h11,13-14,17H,12,15H2,1-10H3/b13-11+/t17-/m0/s1.
What are the key properties of tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane has a molecular weight of 423.44 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 102361534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).