trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane

C21H25F3OSi — CID 139262134

IUPACtrimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane
SMILESCC[C@H](/C=C(\O[Si](C)(C)C)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H25F3OSi/c1-5-16(17-11-13-19(14-12-17)21(22,23)24)15-20(25-26(2,3)4)18-9-7-6-8-10-18/h6-16H,5H2,1-4H3/b20-15-/t16-/m1/s1
InChIKeyUNIDEVBJSPEIFU-RUAUKMDKSA-N
MW378.51 g/mol
LogP7.09
Rot. Bonds6

About trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane

trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane (PubChem CID 139262134) has the molecular formula C21H25F3OSi and a molecular weight of 378.51 g/mol. Its IUPAC name is trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane
PubChem CID139262134
Molecular FormulaC21H25F3OSi
Molecular Weight378.51 g/mol
Exact Mass378.16
IUPAC Nametrimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane
SMILESCC[C@H](/C=C(\O[Si](C)(C)C)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H25F3OSi/c1-5-16(17-11-13-19(14-12-17)21(22,23)24)15-20(25-26(2,3)4)18-9-7-6-8-10-18/h6-16H,5H2,1-4H3/b20-15-/t16-/m1/s1
InChIKeyUNIDEVBJSPEIFU-RUAUKMDKSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[4-[Cyclohexyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168278822
2-[4-[Benzyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168281096
2-[4-[Dimethyl(phenyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168285849
1,1,1,3,3,3-Hexafluoro-2-[4-(hydroxy-methyl-phenylsilyl)phenyl]propan-2-ol
CID 168289966
Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
2,2-Difluoro-1-phenyl-1-trimethylsiloxyethene
CID 10889667
1,1-Difluoro-2-(trimethylsiloxy)-2-phenylcyclopropane
CID 53307532
(1,1,1,4,4,4-Hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10526738
Trimethyl-[1-[3-(trifluoromethyl)phenyl]ethenoxy]silane
CID 11065180
2,3-Diphenyl-2,3-bis(triethylsiloxy)hexafluorobutane
CID 12534368
[2,2-Difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane
CID 11437909
alpha-(Difluoromethylene)-4-methylbenzyloxytrimethylsilane
CID 12990227

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane?
The IUPAC name of trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane (CID 139262134) is trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane.
What is the SMILES notation for trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane?
The canonical SMILES for trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane is CC[C@H](/C=C(\O[Si](C)(C)C)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane?
The InChIKey is UNIDEVBJSPEIFU-RUAUKMDKSA-N. The full InChI is InChI=1S/C21H25F3OSi/c1-5-16(17-11-13-19(14-12-17)21(22,23)24)15-20(25-26(2,3)4)18-9-7-6-8-10-18/h6-16H,5H2,1-4H3/b20-15-/t16-/m1/s1.
What are the key properties of trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane?
trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane has a molecular weight of 378.51 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane is sourced from PubChem (CID 139262134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).