[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate

C14H26O4Si — CID 11748157

IUPAC[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C14H26O4Si/c1-10(15)17-13-9-11(7-8-12(13)16)18-19(5,6)14(2,3)4/h11,13H,7-9H2,1-6H3/t11-,13-/m0/s1
InChIKeyYWYIIPWCLALLPA-AAEUAGOBSA-N
MW286.44 g/mol
LogP3.06
Rot. Bonds3

About [(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate

[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate (PubChem CID 11748157) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is [(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate.

Molecular Properties

Compound Name[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate
PubChem CID11748157
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C14H26O4Si/c1-10(15)17-13-9-11(7-8-12(13)16)18-19(5,6)14(2,3)4/h11,13H,7-9H2,1-6H3/t11-,13-/m0/s1
InChIKeyYWYIIPWCLALLPA-AAEUAGOBSA-N
XLogP3.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-oxo-5-triethylsilyloxyhexanoate
CID 11334833
[(1S,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-oxocyclohexyl] acetate
CID 134836939
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 10946087
[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate
CID 10731983
[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate
CID 11196997
[3-[Tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate?
The IUPAC name of [(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate (CID 11748157) is [(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate.
What is the SMILES notation for [(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate?
The canonical SMILES for [(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate is CC(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CCC1=O.
What is the InChIKey of [(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate?
The InChIKey is YWYIIPWCLALLPA-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-10(15)17-13-9-11(7-8-12(13)16)18-19(5,6)14(2,3)4/h11,13H,7-9H2,1-6H3/t11-,13-/m0/s1.
What are the key properties of [(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate?
[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate has a molecular weight of 286.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate is sourced from PubChem (CID 11748157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).