trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one

C16H32O2Si — CID 10517220

IUPACtrans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
SMILESCC(C)(C)[C@H]1CCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O2Si/c1-15(2,3)12-9-10-13(17)14(11-12)18-19(7,8)16(4,5)6/h12,14H,9-11H2,1-8H3/t12-,14-/m0/s1
InChIKeyIUYKFOPAMIQLLO-JSGCOSHPSA-N
MW284.52 g/mol
LogP4.79
Rot. Bonds2

About trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one

trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one (PubChem CID 10517220) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
PubChem CID10517220
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametrans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
SMILESCC(C)(C)[C@H]1CCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O2Si/c1-15(2,3)12-9-10-13(17)14(11-12)18-19(7,8)16(4,5)6/h12,14H,9-11H2,1-8H3/t12-,14-/m0/s1
InChIKeyIUYKFOPAMIQLLO-JSGCOSHPSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.79
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

1,2-Dicyclohexyl-2-trimethylsilyloxyethanone
CID 10590062
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(-)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl))-4,4-dimethylcyclohexanone
CID 57336727
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
(+)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl)-3-methylcyclohexanone
CID 131746606
(3S)-3-[(2R,3R)-3,7-dimethyl-7-triethylsilyloxyoctan-2-yl]-3-methylcyclohexan-1-one
CID 10738709
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one
CID 11312577
cis-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-but-2-ynylcyclohexan-1-one
CID 139254985
2-[Tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone
CID 10759483
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one
CID 14108214
trans-(3S,5S)-3-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 15356455
9-(Tert-butyldimethylsilanyloxymethyl)-spiro[5.5]undecan-3-one
CID 53657024

Frequently Asked Questions

What is the IUPAC name of trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The IUPAC name of trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one (CID 10517220) is trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one.
What is the SMILES notation for trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The canonical SMILES for trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one is CC(C)(C)[C@H]1CCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The InChIKey is IUYKFOPAMIQLLO-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-15(2,3)12-9-10-13(17)14(11-12)18-19(7,8)16(4,5)6/h12,14H,9-11H2,1-8H3/t12-,14-/m0/s1.
What are the key properties of trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one has a molecular weight of 284.52 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,4S)-4-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one is sourced from PubChem (CID 10517220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).