trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane

C21H25F3Si — CID 46901635

IUPACtrimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane
SMILESC[Si](C)(C)C(/C=C/CCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H25F3Si/c1-25(2,3)20(12-8-7-11-17-9-5-4-6-10-17)18-13-15-19(16-14-18)21(22,23)24/h4-6,8-10,12-16,20H,7,11H2,1-3H3/b12-8+
InChIKeyUDZUIUIQGGHLAV-XYOKQWHBSA-N
MW362.51 g/mol
LogP6.86
Rot. Bonds6

About trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane

trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane (PubChem CID 46901635) has the molecular formula C21H25F3Si and a molecular weight of 362.51 g/mol. Its IUPAC name is trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane
PubChem CID46901635
Molecular FormulaC21H25F3Si
Molecular Weight362.51 g/mol
Exact Mass362.17
IUPAC Nametrimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane
SMILESC[Si](C)(C)C(/C=C/CCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H25F3Si/c1-25(2,3)20(12-8-7-11-17-9-5-4-6-10-17)18-13-15-19(16-14-18)21(22,23)24/h4-6,8-10,12-16,20H,7,11H2,1-3H3/b12-8+
InChIKeyUDZUIUIQGGHLAV-XYOKQWHBSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
dimethyl-phenyl-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
CID 71663437
pent-3-enylbenzene
CID 519421
tert-butyl-dimethyl-[(E,2R)-2-(2,3,4,5,6-pentafluorophenyl)-6-phenylhex-3-enoxy]silane
CID 57413406
(E)-1,1-difluoro-2-methyl-6-phenylhex-3-en-1-ol;methanesulfonic acid
CID 171377662
(E)-2-benzyl-6-phenylhex-3-en-1-ol
CID 11529105
(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one
CID 135060755
(Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol
CID 46191963
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
hepta-3,5-dienylbenzene
CID 54230830
[dimethyl(phenyl)silyl]-[4-(trifluoromethyl)phenyl]methanol
CID 56933855
methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate
CID 177485671

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane?
The IUPAC name of trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane (CID 46901635) is trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane?
The canonical SMILES for trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane is C[Si](C)(C)C(/C=C/CCc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane?
The InChIKey is UDZUIUIQGGHLAV-XYOKQWHBSA-N. The full InChI is InChI=1S/C21H25F3Si/c1-25(2,3)20(12-8-7-11-17-9-5-4-6-10-17)18-13-15-19(16-14-18)21(22,23)24/h4-6,8-10,12-16,20H,7,11H2,1-3H3/b12-8+.
What are the key properties of trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane?
trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane has a molecular weight of 362.51 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane is sourced from PubChem (CID 46901635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).