tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane

C25H36F2O2Si — CID 67430249

IUPACtert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane
SMILESCO[C@H](c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F)C(C)(C)C
InChIInChI=1S/C25H36F2O2Si/c1-24(2,3)23(28-7)21-14-17(16-29-30(8,9)25(4,5)6)10-12-19(21)20-15-18(26)11-13-22(20)27/h10-15,23H,16H2,1-9H3/t23-/m1/s1
InChIKeyMOKBXBFWIPXLPD-HSZRJFAPSA-N
MW434.64 g/mol
LogP7.89
Rot. Bonds6

About tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane

tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane (PubChem CID 67430249) has the molecular formula C25H36F2O2Si and a molecular weight of 434.64 g/mol. Its IUPAC name is tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane
PubChem CID67430249
Molecular FormulaC25H36F2O2Si
Molecular Weight434.64 g/mol
Exact Mass434.25
IUPAC Nametert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane
SMILESCO[C@H](c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F)C(C)(C)C
InChIInChI=1S/C25H36F2O2Si/c1-24(2,3)23(28-7)21-14-17(16-29-30(8,9)25(4,5)6)10-12-19(21)20-15-18(26)11-13-22(20)27/h10-15,23H,16H2,1-9H3/t23-/m1/s1
InChIKeyMOKBXBFWIPXLPD-HSZRJFAPSA-N
XLogP7.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.64
LogP ≤ 57.89
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

[3-Methoxy-4-phenyl-4-(trifluoromethyl)cyclohexen-1-yl]oxy-trimethylsilane
CID 134889268
tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane
CID 21133257
tert-butyl-[[3-[(1R)-1-ethoxy-2,2-dimethylpropyl]-4-(2-fluorophenyl)phenyl]methoxy]-dimethylsilane
CID 57705533
1-(2-fluorophenyl)-2-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]-4-(2-methylpropyl)benzene
CID 57705731
(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-fluorophenyl)phenyl]-2,2-dimethylpropan-1-ol
CID 57705821
tert-butyl-[[3-[(1R)-1-ethoxy-2,2-dimethylpropyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane
CID 57706029
2-[(1R)-1-ethoxy-2,2-dimethylpropyl]-1-(2-fluorophenyl)-4-(2-methylpropyl)benzene
CID 57706052
1-(2-fluorophenyl)-2-[(1S)-1-methoxy-2,2-dimethylpropyl]-4-(2-methylpropyl)benzene
CID 57706054
(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol
CID 57706157
2-[(1S)-1-ethoxy-2,2-dimethylpropyl]-1-(2-fluorophenyl)-4-(2-methylpropyl)benzene
CID 57706170
1-(2-fluorophenyl)-2-[(1R)-1-methoxy-2,2-dimethylpropyl]-4-(2-methylpropyl)benzene
CID 57706184
tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane
CID 57706367

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane (CID 67430249) is tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane is CO[C@H](c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F)C(C)(C)C.
What is the InChIKey of tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane?
The InChIKey is MOKBXBFWIPXLPD-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H36F2O2Si/c1-24(2,3)23(28-7)21-14-17(16-29-30(8,9)25(4,5)6)10-12-19(21)20-15-18(26)11-13-22(20)27/h10-15,23H,16H2,1-9H3/t23-/m1/s1.
What are the key properties of tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane?
tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane has a molecular weight of 434.64 g/mol, XLogP of 7.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 67430249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).