[(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid

C14H31BO3Si — CID 129405347

IUPAC[(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid
SMILESCCCC[C@H](C/C=C/B(O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31BO3Si/c1-7-8-10-13(11-9-12-15(16)17)18-19(5,6)14(2,3)4/h9,12-13,16-17H,7-8,10-11H2,1-6H3/b12-9+/t13-/m1/s1
InChIKeyNJIXJSWSSAEZCZ-CNELAYHGSA-N
MW286.30 g/mol
LogP3.53
Rot. Bonds8

About [(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid

[(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid (PubChem CID 129405347) has the molecular formula C14H31BO3Si and a molecular weight of 286.30 g/mol. Its IUPAC name is [(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid.

Molecular Properties

Compound Name[(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid
PubChem CID129405347
Molecular FormulaC14H31BO3Si
Molecular Weight286.30 g/mol
Exact Mass286.21
IUPAC Name[(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid
SMILESCCCC[C@H](C/C=C/B(O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31BO3Si/c1-7-8-10-13(11-9-12-15(16)17)18-19(5,6)14(2,3)4/h9,12-13,16-17H,7-8,10-11H2,1-6H3/b12-9+/t13-/m1/s1
InChIKeyNJIXJSWSSAEZCZ-CNELAYHGSA-N
XLogP3.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid?
The IUPAC name of [(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid (CID 129405347) is [(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid.
What is the SMILES notation for [(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid?
The canonical SMILES for [(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid is CCCC[C@H](C/C=C/B(O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid?
The InChIKey is NJIXJSWSSAEZCZ-CNELAYHGSA-N. The full InChI is InChI=1S/C14H31BO3Si/c1-7-8-10-13(11-9-12-15(16)17)18-19(5,6)14(2,3)4/h9,12-13,16-17H,7-8,10-11H2,1-6H3/b12-9+/t13-/m1/s1.
What are the key properties of [(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid?
[(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid has a molecular weight of 286.30 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid is sourced from PubChem (CID 129405347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).