cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one

C16H32O2Si — CID 11065998

IUPACcis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
SMILESCCCC[C@H]1C(=O)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-8-10-13-14(17)11-9-12-15(13)18-19(5,6)16(2,3)4/h13,15H,7-12H2,1-6H3/t13-,15-/m0/s1
InChIKeyKDAKMAHANHLXMV-ZFWWWQNUSA-N
MW284.52 g/mol
LogP4.94
Rot. Bonds5

About cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one

cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one (PubChem CID 11065998) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
PubChem CID11065998
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namecis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
SMILESCCCC[C@H]1C(=O)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-8-10-13-14(17)11-9-12-15(13)18-19(5,6)16(2,3)4/h13,15H,7-12H2,1-6H3/t13-,15-/m0/s1
InChIKeyKDAKMAHANHLXMV-ZFWWWQNUSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.94
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

rac-(1R,2S)-2-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carbaldehyde
CID 11746817
rac-(1R,2R)-2-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carbaldehyde
CID 137964539
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
(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-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-propylcyclohexan-1-one
CID 134887200
1-[(4R,5S,6R)-2,2-ditert-butyl-5-methyl-6-propan-2-yl-1,3,2-dioxasilinan-4-yl]butan-2-one
CID 10947879
cis-(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-one
CID 10955752
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
CID 132501472
1,2-Dicyclohexyl-1-trimethylsilyloxypentan-3-one
CID 134838782
4-Cyclohexyl-5-trimethylsilyloxyhexan-3-one
CID 134859510
(4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one
CID 134954182

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The IUPAC name of cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one (CID 11065998) is cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one.
What is the SMILES notation for cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The canonical SMILES for cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one is CCCC[C@H]1C(=O)CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The InChIKey is KDAKMAHANHLXMV-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-8-10-13-14(17)11-9-12-15(13)18-19(5,6)16(2,3)4/h13,15H,7-12H2,1-6H3/t13-,15-/m0/s1.
What are the key properties of cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one has a molecular weight of 284.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one is sourced from PubChem (CID 11065998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).