tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane

C18H26F2OSi — CID 134854272

IUPACtert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane
SMILESC[C@H]1[C@H](c2ccccc2)C=C(O[Si](C)(C)C(C)(C)C)C1(F)F
InChIInChI=1S/C18H26F2OSi/c1-13-15(14-10-8-7-9-11-14)12-16(18(13,19)20)21-22(5,6)17(2,3)4/h7-13,15H,1-6H3/t13-,15+/m0/s1
InChIKeyLFEUYBXLYUQGMY-DZGCQCFKSA-N
MW324.49 g/mol
LogP5.96
Rot. Bonds3

About tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane

tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane (PubChem CID 134854272) has the molecular formula C18H26F2OSi and a molecular weight of 324.49 g/mol. Its IUPAC name is tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane
PubChem CID134854272
Molecular FormulaC18H26F2OSi
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC Nametert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane
SMILESC[C@H]1[C@H](c2ccccc2)C=C(O[Si](C)(C)C(C)(C)C)C1(F)F
InChIInChI=1S/C18H26F2OSi/c1-13-15(14-10-8-7-9-11-14)12-16(18(13,19)20)21-22(5,6)17(2,3)4/h7-13,15H,1-6H3/t13-,15+/m0/s1
InChIKeyLFEUYBXLYUQGMY-DZGCQCFKSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.49
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane
CID 11245353
Silane, trimethyl(2,2,2-trifluoro-1-methyl-1-phenylethoxy)-
CID 11637497
[3-[2-(4-Fluorophenyl)hex-1-enylidene]cyclohexen-1-yl]oxy-trimethylsilane
CID 12123465
Trimethyl-(1,1,1-trifluoro-4-phenylbutan-2-yl)oxysilane
CID 85935913
Trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane
CID 86225628
1-(tert-Butyldimethylsiloxy)-3-phenyl-5,5-difluoro-1-cyclopentene
CID 101790511
[3-(4-Chlorophenyl)-5,5-difluoro-1-cyclopentenyloxy]tert-butyldimethylsilane
CID 102492771
(2-Methyl-3-phenyl-5,5-difluoro-1-cyclopentenyloxy)tert-butyldimethylsilane
CID 102492772
[3-(4-Methylphenyl)-5,5-difluoro-1-cyclopentenyloxy]tert-butyldimethylsilane
CID 102492773
1-Phenyl-2-(tert-butyldimethylsilyloxy)-3,3-difluoro-5-phenyl-1-cyclopentene
CID 122389926
1-Bromo-2-(tert-butyldimethylsilyloxy)-3,3-difluoro-5-phenyl-1-cyclopentene
CID 122389928
2-(tert-Butyldimethylsilyloxy)-4,4-difluoro-5-phenyl-1-cyclopentene
CID 122389930

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane (CID 134854272) is tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane is C[C@H]1[C@H](c2ccccc2)C=C(O[Si](C)(C)C(C)(C)C)C1(F)F.
What is the InChIKey of tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane?
The InChIKey is LFEUYBXLYUQGMY-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H26F2OSi/c1-13-15(14-10-8-7-9-11-14)12-16(18(13,19)20)21-22(5,6)17(2,3)4/h7-13,15H,1-6H3/t13-,15+/m0/s1.
What are the key properties of tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane has a molecular weight of 324.49 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 134854272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).