(1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one

C17H33F3O3Si2 — CID 150817053

IUPAC(1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one
SMILESCC(C(=O)[C@H](O[Si](C)(C)O[SiH2]C(C)(C)C)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H33F3O3Si2/c1-12(17(18,19)20)14(21)15(13-10-8-7-9-11-13)22-25(5,6)23-24-16(2,3)4/h12-13,15H,7-11,24H2,1-6H3/t12?,15-/m1/s1
InChIKeyKJCOVWBLDCWPKQ-WPZCJLIBSA-N
MW398.61 g/mol
LogP4.74
Rot. Bonds7

About (1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one

(1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one (PubChem CID 150817053) has the molecular formula C17H33F3O3Si2 and a molecular weight of 398.61 g/mol. Its IUPAC name is (1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one.

Molecular Properties

Compound Name(1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one
PubChem CID150817053
Molecular FormulaC17H33F3O3Si2
Molecular Weight398.61 g/mol
Exact Mass398.19
IUPAC Name(1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one
SMILESCC(C(=O)[C@H](O[Si](C)(C)O[SiH2]C(C)(C)C)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H33F3O3Si2/c1-12(17(18,19)20)14(21)15(13-10-8-7-9-11-13)22-25(5,6)23-24-16(2,3)4/h12-13,15H,7-11,24H2,1-6H3/t12?,15-/m1/s1
InChIKeyKJCOVWBLDCWPKQ-WPZCJLIBSA-N
XLogP4.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.61
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dicyclohexyl-2-trimethylsilyloxyethanone
CID 10590062
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
trans-(2S,7S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(trifluoromethyl)cycloheptan-1-one
CID 56641848
(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one
CID 102253975
2-[Tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone
CID 10759483
2-Cyclohexyl-1-[2,2,3,3-tetra(propan-2-yl)oxadisilinan-6-yl]propan-1-one
CID 174058067
2-[4-[Tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one
CID 15834327
(2S)-1,2-dicyclohexyl-2-triethylsilyloxyethanone
CID 102401928

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one?
The IUPAC name of (1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one (CID 150817053) is (1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one.
What is the SMILES notation for (1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one?
The canonical SMILES for (1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one is CC(C(=O)[C@H](O[Si](C)(C)O[SiH2]C(C)(C)C)C1CCCCC1)C(F)(F)F.
What is the InChIKey of (1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one?
The InChIKey is KJCOVWBLDCWPKQ-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H33F3O3Si2/c1-12(17(18,19)20)14(21)15(13-10-8-7-9-11-13)22-25(5,6)23-24-16(2,3)4/h12-13,15H,7-11,24H2,1-6H3/t12?,15-/m1/s1.
What are the key properties of (1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one?
(1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one has a molecular weight of 398.61 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one is sourced from PubChem (CID 150817053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).