tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane

C27H34OSi — CID 135028969

IUPACtert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
SMILESCC(C)(C)c1ccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C27H34OSi/c1-26(2,3)23-19-17-22(18-20-23)21-28-29(27(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-20H,21H2,1-6H3
InChIKeyGIABVRHCCOGREX-UHFFFAOYSA-N
MW402.65 g/mol
LogP6.06
Rot. Bonds5

About tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane

tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane (PubChem CID 135028969) has the molecular formula C27H34OSi and a molecular weight of 402.65 g/mol. Its IUPAC name is tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
PubChem CID135028969
Molecular FormulaC27H34OSi
Molecular Weight402.65 g/mol
Exact Mass402.24
IUPAC Nametert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
SMILESCC(C)(C)c1ccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C27H34OSi/c1-26(2,3)23-19-17-22(18-20-23)21-28-29(27(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-20H,21H2,1-6H3
InChIKeyGIABVRHCCOGREX-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane 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

(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane
CID 10670102
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381
tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane
CID 19694134
4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridin-2-amine
CID 59295334
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]methanol
CID 69313641
tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane
CID 88618126
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
CID 171654224
4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol
CID 72713425

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane (CID 135028969) is tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane is CC(C)(C)c1ccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane?
The InChIKey is GIABVRHCCOGREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34OSi/c1-26(2,3)23-19-17-22(18-20-23)21-28-29(27(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-20H,21H2,1-6H3.
What are the key properties of tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane?
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane has a molecular weight of 402.65 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane is sourced from PubChem (CID 135028969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).