[4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane

C25H39FO2Si2 — CID 175359799

IUPAC[4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)C(Cc1ccc(F)cc1)C(CO[Si](C)(C)C)Cc1ccccc1
InChIInChI=1S/C25H39FO2Si2/c1-20(28-30(5,6)7)25(18-22-13-15-24(26)16-14-22)23(19-27-29(2,3)4)17-21-11-9-8-10-12-21/h8-16,20,23,25H,17-19H2,1-7H3
InChIKeyBAAXHWDWRSCUDF-UHFFFAOYSA-N
MW446.76 g/mol
LogP6.93
Rot. Bonds11

About [4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane

[4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane (PubChem CID 175359799) has the molecular formula C25H39FO2Si2 and a molecular weight of 446.76 g/mol. Its IUPAC name is [4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
PubChem CID175359799
Molecular FormulaC25H39FO2Si2
Molecular Weight446.76 g/mol
Exact Mass446.25
IUPAC Name[4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)C(Cc1ccc(F)cc1)C(CO[Si](C)(C)C)Cc1ccccc1
InChIInChI=1S/C25H39FO2Si2/c1-20(28-30(5,6)7)25(18-22-13-15-24(26)16-14-22)23(19-27-29(2,3)4)17-21-11-9-8-10-12-21/h8-16,20,23,25H,17-19H2,1-7H3
InChIKeyBAAXHWDWRSCUDF-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.76
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-3-dimethyl(pentafluorophenyl)silyloxypropane
CID 576398
tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-fluorophenyl)pent-3-enoxy]-dimethylsilane
CID 12124314
1-Phenyl-2-(tert-butyldimethylsilyloxy)-3,3-difluoro-5-phenyl-1-cyclopentene
CID 122389926
tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
CID 132967113
tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane
CID 134955295
Tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane
CID 135032855
2-(4-Fluorophenyl)ethoxy-dimethyl-phenylsilane
CID 135036598
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187
[3-(4-Fluorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]-dimethyl-phenylsilane
CID 154712422
[(Z)-5-[dimethyl(phenyl)silyl]-1-(4-fluorophenyl)pent-3-enoxy]-triethylsilane
CID 154721395
[1-(4,4-Difluorocyclohexyl)-3-phenylpropoxy]-triethylsilane
CID 176433537
[(3S)-1,1-difluoro-3-methyl-5-phenylpent-1-en-2-yl]oxy-dimethyl-phenylsilane
CID 177850114

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane?
The IUPAC name of [4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane (CID 175359799) is [4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane is CC(O[Si](C)(C)C)C(Cc1ccc(F)cc1)C(CO[Si](C)(C)C)Cc1ccccc1.
What is the InChIKey of [4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane?
The InChIKey is BAAXHWDWRSCUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39FO2Si2/c1-20(28-30(5,6)7)25(18-22-13-15-24(26)16-14-22)23(19-27-29(2,3)4)17-21-11-9-8-10-12-21/h8-16,20,23,25H,17-19H2,1-7H3.
What are the key properties of [4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane?
[4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane has a molecular weight of 446.76 g/mol, XLogP of 6.93, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-3-[(4-fluorophenyl)methyl]-5-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 175359799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).