tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane

C19H29F3OSi — CID 132967114

IUPACtert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H29F3OSi/c1-18(2,3)24(4,5)23-17-9-7-6-8-16(17)14-10-12-15(13-11-14)19(20,21)22/h10-13,16-17H,6-9H2,1-5H3/t16-,17+/m0/s1
InChIKeyCNWUYHYJDJFSLK-DLBZAZTESA-N
MW358.52 g/mol
LogP6.75
Rot. Bonds3

About tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane

tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane (PubChem CID 132967114) has the molecular formula C19H29F3OSi and a molecular weight of 358.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane
PubChem CID132967114
Molecular FormulaC19H29F3OSi
Molecular Weight358.52 g/mol
Exact Mass358.19
IUPAC Nametert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H29F3OSi/c1-18(2,3)24(4,5)23-17-9-7-6-8-16(17)14-10-12-15(13-11-14)19(20,21)22/h10-13,16-17H,6-9H2,1-5H3/t16-,17+/m0/s1
InChIKeyCNWUYHYJDJFSLK-DLBZAZTESA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 56.75
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

(2,2-Difluoro-1-phenylbut-3-enoxy)-triethylsilane
CID 166519402
2-Phenylethanol, dimethylpentafluorophenylsilyl ether
CID 555830
1-Phenylpropanol, dimethylpentafluorophenylsilyl ether
CID 91742948
Triethyl-(2,3,3-trifluoro-1-phenylprop-2-enoxy)silane
CID 13628745
Tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane
CID 11245353
triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane
CID 11977273
tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]pent-3-enoxy]-dimethylsilane
CID 12124315
Trimethyl-(1,1,1-trifluoro-4-phenylbutan-2-yl)oxysilane
CID 85935913
1-(tert-Butyldimethylsiloxy)-3-phenyl-5,5-difluoro-1-cyclopentene
CID 101790511
(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane (CID 132967114) is tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane?
The InChIKey is CNWUYHYJDJFSLK-DLBZAZTESA-N. The full InChI is InChI=1S/C19H29F3OSi/c1-18(2,3)24(4,5)23-17-9-7-6-8-16(17)14-10-12-15(13-11-14)19(20,21)22/h10-13,16-17H,6-9H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane?
tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane has a molecular weight of 358.52 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclohexyl]oxysilane is sourced from PubChem (CID 132967114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).