tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane

C23H25IOSi — CID 135016093

IUPACtert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccc(CI)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25IOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-20-16-14-19(18-24)15-17-20/h4-17H,18H2,1-3H3
InChIKeyOXZWKLAWJREORM-UHFFFAOYSA-N
MW472.44 g/mol
LogP5.56
Rot. Bonds5

About tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane

tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane (PubChem CID 135016093) has the molecular formula C23H25IOSi and a molecular weight of 472.44 g/mol. Its IUPAC name is tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
PubChem CID135016093
Molecular FormulaC23H25IOSi
Molecular Weight472.44 g/mol
Exact Mass472.07
IUPAC Nametert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccc(CI)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25IOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-20-16-14-19(18-24)15-17-20/h4-17H,18H2,1-3H3
InChIKeyOXZWKLAWJREORM-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine
CID 11700207
2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
1-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]ethanamine
CID 68688965
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
(Z)-1-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenyl-N-trimethylsilylmethanimine
CID 140756079
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
tert-butyl-(3,6-dihydro-2H-pyran-4-yloxy)-diphenylsilane
CID 101467335
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane (CID 135016093) is tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane is CC(C)(C)[Si](Oc1ccc(CI)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane?
The InChIKey is OXZWKLAWJREORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25IOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-20-16-14-19(18-24)15-17-20/h4-17H,18H2,1-3H3.
What are the key properties of tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane?
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane has a molecular weight of 472.44 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane is sourced from PubChem (CID 135016093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).