[[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium

C13H30BO4Si+ — CID 134971949

IUPAC[[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium
SMILESCO[C@H](/C=C/B(O)[OH2+])[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29BO4Si/c1-11(12(17-5)8-9-14(15)16)10-18-19(6,7)13(2,3)4/h8-9,11-12,15-16H,10H2,1-7H3/p+1/b9-8+/t11-,12-/m1/s1
InChIKeyJUXLZDGKKAVATA-SVKHLYGUSA-O
MW289.28 g/mol
LogP1.96
Rot. Bonds7

About [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium

[[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium (PubChem CID 134971949) has the molecular formula C13H30BO4Si+ and a molecular weight of 289.28 g/mol. Its IUPAC name is [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium.

Molecular Properties

Compound Name[[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium
PubChem CID134971949
Molecular FormulaC13H30BO4Si+
Molecular Weight289.28 g/mol
Exact Mass289.20
IUPAC Name[[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium
SMILESCO[C@H](/C=C/B(O)[OH2+])[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29BO4Si/c1-11(12(17-5)8-9-14(15)16)10-18-19(6,7)13(2,3)4/h8-9,11-12,15-16H,10H2,1-7H3/p+1/b9-8+/t11-,12-/m1/s1
InChIKeyJUXLZDGKKAVATA-SVKHLYGUSA-O
XLogP1.96
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium with MolForge

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Related Compounds

[(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid
CID 101128575
(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol
CID 102461539
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
tert-butyl-dimethyl-[(E)-2-methylpent-3-enoxy]silane
CID 121002381
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877
methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate
CID 59470831
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane
CID 11189745
tert-butyl-[(E)-4-iodo-2-methylbut-3-enoxy]-dimethylsilane
CID 101405389

Frequently Asked Questions

What is the IUPAC name of [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium?
The IUPAC name of [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium (CID 134971949) is [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium.
What is the SMILES notation for [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium?
The canonical SMILES for [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium is CO[C@H](/C=C/B(O)[OH2+])[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium?
The InChIKey is JUXLZDGKKAVATA-SVKHLYGUSA-O. The full InChI is InChI=1S/C13H29BO4Si/c1-11(12(17-5)8-9-14(15)16)10-18-19(6,7)13(2,3)4/h8-9,11-12,15-16H,10H2,1-7H3/p+1/b9-8+/t11-,12-/m1/s1.
What are the key properties of [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium?
[[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium has a molecular weight of 289.28 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium is sourced from PubChem (CID 134971949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).