(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one

C22H25F3OSi — CID 135060755

IUPAC(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one
SMILESCC(=O)C/C(C)=C\[C@H](c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H25F3OSi/c1-16(14-17(2)26)15-21(27(3,4)20-8-6-5-7-9-20)18-10-12-19(13-11-18)22(23,24)25/h5-13,15,21H,14H2,1-4H3/b16-15-/t21-/m1/s1
InChIKeySCOHFSBLJJERBD-XPNMMBGKSA-N
MW390.52 g/mol
LogP5.87
Rot. Bonds6

About (Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one

(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one (PubChem CID 135060755) has the molecular formula C22H25F3OSi and a molecular weight of 390.52 g/mol. Its IUPAC name is (Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one.

Molecular Properties

Compound Name(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one
PubChem CID135060755
Molecular FormulaC22H25F3OSi
Molecular Weight390.52 g/mol
Exact Mass390.16
IUPAC Name(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one
SMILESCC(=O)C/C(C)=C\[C@H](c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H25F3OSi/c1-16(14-17(2)26)15-21(27(3,4)20-8-6-5-7-9-20)18-10-12-19(13-11-18)22(23,24)25/h5-13,15,21H,14H2,1-4H3/b16-15-/t21-/m1/s1
InChIKeySCOHFSBLJJERBD-XPNMMBGKSA-N
XLogP5.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 16757036
dimethyl-phenyl-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
CID 71663437
[dimethyl(phenyl)silyl]-[4-(trifluoromethyl)phenyl]methanol
CID 56933855
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane
CID 134904582
(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 10689220
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane
CID 46901635
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
3,5-diamino-4-[4-(trifluoromethyl)phenyl]heptanedioic acid
CID 170872841
(2S,3S)-3-[dimethyl(phenyl)silyl]-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 11255556

Frequently Asked Questions

What is the IUPAC name of (Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one?
The IUPAC name of (Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one (CID 135060755) is (Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one.
What is the SMILES notation for (Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one?
The canonical SMILES for (Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one is CC(=O)C/C(C)=C\[C@H](c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one?
The InChIKey is SCOHFSBLJJERBD-XPNMMBGKSA-N. The full InChI is InChI=1S/C22H25F3OSi/c1-16(14-17(2)26)15-21(27(3,4)20-8-6-5-7-9-20)18-10-12-19(13-11-18)22(23,24)25/h5-13,15,21H,14H2,1-4H3/b16-15-/t21-/m1/s1.
What are the key properties of (Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one?
(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one has a molecular weight of 390.52 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one is sourced from PubChem (CID 135060755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).