(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one

C17H34O2Si — CID 135050235

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one
SMILESCCC(=O)[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H34O2Si/c1-8-15(18)17(5,14-12-10-9-11-13-14)19-20(6,7)16(2,3)4/h14H,8-13H2,1-7H3/t17-/m0/s1
InChIKeyZQXRZWBAJFDQAB-KRWDZBQOSA-N
MW298.54 g/mol
LogP5.33
Rot. Bonds5

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one (PubChem CID 135050235) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one
PubChem CID135050235
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one
SMILESCCC(=O)[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H34O2Si/c1-8-15(18)17(5,14-12-10-9-11-13-14)19-20(6,7)16(2,3)4/h14H,8-13H2,1-7H3/t17-/m0/s1
InChIKeyZQXRZWBAJFDQAB-KRWDZBQOSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.33
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

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
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
(3S)-3-[(2R,3R)-3,7-dimethyl-7-triethylsilyloxyoctan-2-yl]-3-methylcyclohexan-1-one
CID 10738709
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
3-(1-Trimethylsilyloxycyclohexyl)cyclohexan-1-one
CID 122214305
3-[1-[Tert-butyl(dimethyl)silyl]oxy-1-methyl-ethyl]cyclohexanone
CID 122214308
4-Cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one
CID 134838817
2-Tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one
CID 154712306
CID 164684546
CID 164684546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one (CID 135050235) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one is CCC(=O)[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one?
The InChIKey is ZQXRZWBAJFDQAB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-8-15(18)17(5,14-12-10-9-11-13-14)19-20(6,7)16(2,3)4/h14H,8-13H2,1-7H3/t17-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one has a molecular weight of 298.54 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one is sourced from PubChem (CID 135050235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).