[4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid

C23H36BNO4Si — CID 18367604

IUPAC[4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid
SMILESCCC(Oc1ccc(B(O)O)cc1)C(CCc1cccnc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H36BNO4Si/c1-7-21(28-20-13-11-19(12-14-20)24(26)27)22(29-30(5,6)23(2,3)4)15-10-18-9-8-16-25-17-18/h8-9,11-14,16-17,21-22,26-27H,7,10,15H2,1-6H3
InChIKeyVNSANZKWZWQAIS-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.94
Rot. Bonds10

About [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid

[4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid (PubChem CID 18367604) has the molecular formula C23H36BNO4Si and a molecular weight of 429.44 g/mol. Its IUPAC name is [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid.

Molecular Properties

Compound Name[4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid
PubChem CID18367604
Molecular FormulaC23H36BNO4Si
Molecular Weight429.44 g/mol
Exact Mass429.25
IUPAC Name[4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid
SMILESCCC(Oc1ccc(B(O)O)cc1)C(CCc1cccnc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H36BNO4Si/c1-7-21(28-20-13-11-19(12-14-20)24(26)27)22(29-30(5,6)23(2,3)4)15-10-18-9-8-16-25-17-18/h8-9,11-14,16-17,21-22,26-27H,7,10,15H2,1-6H3
InChIKeyVNSANZKWZWQAIS-UHFFFAOYSA-N
XLogP3.94
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane
CID 70186593
5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
CID 18367564
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine
CID 82724326
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105096059
3-pyridin-3-ylpropyl 2-sulfanylbutanoate
CID 88778268
1-pyridin-3-ylhexan-3-amine
CID 64506028
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345

Frequently Asked Questions

What is the IUPAC name of [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid?
The IUPAC name of [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid (CID 18367604) is [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid.
What is the SMILES notation for [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid?
The canonical SMILES for [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid is CCC(Oc1ccc(B(O)O)cc1)C(CCc1cccnc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid?
The InChIKey is VNSANZKWZWQAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36BNO4Si/c1-7-21(28-20-13-11-19(12-14-20)24(26)27)22(29-30(5,6)23(2,3)4)15-10-18-9-8-16-25-17-18/h8-9,11-14,16-17,21-22,26-27H,7,10,15H2,1-6H3.
What are the key properties of [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid?
[4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid has a molecular weight of 429.44 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid is sourced from PubChem (CID 18367604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).