4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol

C26H32O2Si — CID 102173956

IUPAC4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
SMILESCC(C)(C)[Si](OCCCCc1ccc(O)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32O2Si/c1-26(2,3)29(24-13-6-4-7-14-24,25-15-8-5-9-16-25)28-21-11-10-12-22-17-19-23(27)20-18-22/h4-9,13-20,27H,10-12,21H2,1-3H3
InChIKeyGEMWDZDUAMALCT-UHFFFAOYSA-N
MW404.63 g/mol
LogP5.29
Rot. Bonds8

About 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol

4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol (PubChem CID 102173956) has the molecular formula C26H32O2Si and a molecular weight of 404.63 g/mol. Its IUPAC name is 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol.

Molecular Properties

Compound Name4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
PubChem CID102173956
Molecular FormulaC26H32O2Si
Molecular Weight404.63 g/mol
Exact Mass404.22
IUPAC Name4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
SMILESCC(C)(C)[Si](OCCCCc1ccc(O)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32O2Si/c1-26(2,3)29(24-13-6-4-7-14-24,25-15-8-5-9-16-25)28-21-11-10-12-22-17-19-23(27)20-18-22/h4-9,13-20,27H,10-12,21H2,1-3H3
InChIKeyGEMWDZDUAMALCT-UHFFFAOYSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.63
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-[5-(furan-3-yl)pentoxy]-diphenylsilane
CID 11153578
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane
CID 69439190
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal
CID 22345545

Frequently Asked Questions

What is the IUPAC name of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol?
The IUPAC name of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol (CID 102173956) is 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol.
What is the SMILES notation for 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol?
The canonical SMILES for 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol is CC(C)(C)[Si](OCCCCc1ccc(O)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol?
The InChIKey is GEMWDZDUAMALCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O2Si/c1-26(2,3)29(24-13-6-4-7-14-24,25-15-8-5-9-16-25)28-21-11-10-12-22-17-19-23(27)20-18-22/h4-9,13-20,27H,10-12,21H2,1-3H3.
What are the key properties of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol?
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol has a molecular weight of 404.63 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol is sourced from PubChem (CID 102173956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).