[4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid

C16H29BO4Si — CID 139806780

IUPAC[4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid
SMILESCC(CO[Si](C)(C)C(C)(C)C)Cc1ccc(OB(O)O)cc1
InChIInChI=1S/C16H29BO4Si/c1-13(12-20-22(5,6)16(2,3)4)11-14-7-9-15(10-8-14)21-17(18)19/h7-10,13,18-19H,11-12H2,1-6H3
InChIKeyBWTZBESLYLXSJO-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.24
Rot. Bonds7

About [4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid

[4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid (PubChem CID 139806780) has the molecular formula C16H29BO4Si and a molecular weight of 324.30 g/mol. Its IUPAC name is [4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid.

Molecular Properties

Compound Name[4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid
PubChem CID139806780
Molecular FormulaC16H29BO4Si
Molecular Weight324.30 g/mol
Exact Mass324.19
IUPAC Name[4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid
SMILESCC(CO[Si](C)(C)C(C)(C)C)Cc1ccc(OB(O)O)cc1
InChIInChI=1S/C16H29BO4Si/c1-13(12-20-22(5,6)16(2,3)4)11-14-7-9-15(10-8-14)21-17(18)19/h7-10,13,18-19H,11-12H2,1-6H3
InChIKeyBWTZBESLYLXSJO-UHFFFAOYSA-N
XLogP3.24
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.24
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

tert-butyl-dimethyl-[(2R)-2-methyl-3-pyridin-4-ylpropoxy]silane
CID 134942464
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine
CID 101474100
tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane
CID 71713685
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol
CID 22628511

Frequently Asked Questions

What is the IUPAC name of [4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid?
The IUPAC name of [4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid (CID 139806780) is [4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid.
What is the SMILES notation for [4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid?
The canonical SMILES for [4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid is CC(CO[Si](C)(C)C(C)(C)C)Cc1ccc(OB(O)O)cc1.
What is the InChIKey of [4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid?
The InChIKey is BWTZBESLYLXSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BO4Si/c1-13(12-20-22(5,6)16(2,3)4)11-14-7-9-15(10-8-14)21-17(18)19/h7-10,13,18-19H,11-12H2,1-6H3.
What are the key properties of [4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid?
[4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid has a molecular weight of 324.30 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid is sourced from PubChem (CID 139806780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).