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

C13H29BO4Si — CID 101128575

IUPAC[(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid
SMILESCO[C@@H](/C=C/B(O)O)[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/b9-8+/t11-,12+/m1/s1
InChIKeyJUXLZDGKKAVATA-DGTDAXKGSA-N
MW288.27 g/mol
LogP2.23
Rot. Bonds7

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

[(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid (PubChem CID 101128575) has the molecular formula C13H29BO4Si and a molecular weight of 288.27 g/mol. Its IUPAC name is [(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid.

Molecular Properties

Compound Name[(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid
PubChem CID101128575
Molecular FormulaC13H29BO4Si
Molecular Weight288.27 g/mol
Exact Mass288.19
IUPAC Name[(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid
SMILESCO[C@@H](/C=C/B(O)O)[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/b9-8+/t11-,12+/m1/s1
InChIKeyJUXLZDGKKAVATA-DGTDAXKGSA-N
XLogP2.23
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium
CID 134971949
[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid
CID 134887511
(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
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
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
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,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid?
The IUPAC name of [(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid (CID 101128575) is [(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid.
What is the SMILES notation for [(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid?
The canonical SMILES for [(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid is CO[C@@H](/C=C/B(O)O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid?
The InChIKey is JUXLZDGKKAVATA-DGTDAXKGSA-N. 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/b9-8+/t11-,12+/m1/s1.
What are the key properties of [(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid?
[(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid has a molecular weight of 288.27 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid is sourced from PubChem (CID 101128575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).