[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone

C21H31F3O2Si — CID 58968636

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C(F)(F)F)ccc1C(=O)C1CCCCC1
InChIInChI=1S/C21H31F3O2Si/c1-20(2,3)27(4,5)26-14-16-13-17(21(22,23)24)11-12-18(16)19(25)15-9-7-6-8-10-15/h11-13,15H,6-10,14H2,1-5H3
InChIKeyVEFFWUPMJOFTBT-UHFFFAOYSA-N
MW400.56 g/mol
LogP6.99
Rot. Bonds5

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone (PubChem CID 58968636) has the molecular formula C21H31F3O2Si and a molecular weight of 400.56 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone
PubChem CID58968636
Molecular FormulaC21H31F3O2Si
Molecular Weight400.56 g/mol
Exact Mass400.20
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C(F)(F)F)ccc1C(=O)C1CCCCC1
InChIInChI=1S/C21H31F3O2Si/c1-20(2,3)27(4,5)26-14-16-13-17(21(22,23)24)11-12-18(16)19(25)15-9-7-6-8-10-15/h11-13,15H,6-10,14H2,1-5H3
InChIKeyVEFFWUPMJOFTBT-UHFFFAOYSA-N
XLogP6.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-Bis({[tert-butyl(dimethyl)silyl]oxy}methyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-one
CID 54770335
3,3,3-Trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one
CID 12059933
1,4-Dihydro-1-oxo-4-triethylsiloxy-4-trifluoromethylnaphthalene
CID 14343499
3,4-Dimethylbenzoic acid, tert-butyldimethylsilyl ester
CID 91733937
1-[4-[1-[Tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-3,3,3-trifluoropropan-1-one
CID 138978266
(E,2S)-2-[dimethyl(phenyl)silyl]oxy-3-methyl-2-(2-methylpropyl)-1-[4-(trifluoromethyl)phenyl]pent-3-en-1-one
CID 154715953
3,3,3-Trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one
CID 162420074
6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one
CID 100968424
4-(((Tert-butyldimethylsilyl)oxy)methyl)-2-methylbenzaldehyde
CID 102361551
1-[4-(Triethylsilyloxymethyl)phenyl]ethanone
CID 134952229
Trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate
CID 629236
3,3-Difluoro-4-naphthalen-2-yl-4-trimethylsilyloxybutan-2-one
CID 10663630

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone (CID 58968636) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone is CC(C)(C)[Si](C)(C)OCc1cc(C(F)(F)F)ccc1C(=O)C1CCCCC1.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone?
The InChIKey is VEFFWUPMJOFTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F3O2Si/c1-20(2,3)27(4,5)26-14-16-13-17(21(22,23)24)11-12-18(16)19(25)15-9-7-6-8-10-15/h11-13,15H,6-10,14H2,1-5H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone has a molecular weight of 400.56 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanone is sourced from PubChem (CID 58968636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).