4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol

C24H36O3Si — CID 142544530

IUPAC4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCOc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H36O3Si/c1-24(2,3)28(4,5)27-19-9-7-6-8-18-26-23-16-12-21(13-17-23)20-10-14-22(25)15-11-20/h10-17,25H,6-9,18-19H2,1-5H3
InChIKeyBUYJQFQJJXCSCM-UHFFFAOYSA-N
MW400.64 g/mol
LogP7.02
Rot. Bonds10

About 4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol

4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol (PubChem CID 142544530) has the molecular formula C24H36O3Si and a molecular weight of 400.64 g/mol. Its IUPAC name is 4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
PubChem CID142544530
Molecular FormulaC24H36O3Si
Molecular Weight400.64 g/mol
Exact Mass400.24
IUPAC Name4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCOc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H36O3Si/c1-24(2,3)28(4,5)27-19-9-7-6-8-18-26-23-16-12-21(13-17-23)20-10-14-22(25)15-11-20/h10-17,25H,6-9,18-19H2,1-5H3
InChIKeyBUYJQFQJJXCSCM-UHFFFAOYSA-N
XLogP7.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
CID 21185148
4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
CID 15189872
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
4-octadecoxyphenol
CID 22179059
4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol
CID 174516369
4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol
CID 137234830
tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane
CID 139657241
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol?
The IUPAC name of 4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol (CID 142544530) is 4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol.
What is the SMILES notation for 4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol?
The canonical SMILES for 4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol is CC(C)(C)[Si](C)(C)OCCCCCCOc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol?
The InChIKey is BUYJQFQJJXCSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O3Si/c1-24(2,3)28(4,5)27-19-9-7-6-8-18-26-23-16-12-21(13-17-23)20-10-14-22(25)15-11-20/h10-17,25H,6-9,18-19H2,1-5H3.
What are the key properties of 4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol?
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol has a molecular weight of 400.64 g/mol, XLogP of 7.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol is sourced from PubChem (CID 142544530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).