[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate

C14H28O4Si — CID 11196997

IUPAC[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate
SMILESCC(=O)O[C@@H](C=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-12(16)18-13(11-15)9-7-8-10-17-19(5,6)14(2,3)4/h11,13H,7-10H2,1-6H3/t13-/m1/s1
InChIKeyGLBIEEXASUWDKE-CYBMUJFWSA-N
MW288.46 g/mol
LogP3.31
Rot. Bonds8

About [(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate

[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate (PubChem CID 11196997) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate
PubChem CID11196997
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate
SMILESCC(=O)O[C@@H](C=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-12(16)18-13(11-15)9-7-8-10-17-19(5,6)14(2,3)4/h11,13H,7-10H2,1-6H3/t13-/m1/s1
InChIKeyGLBIEEXASUWDKE-CYBMUJFWSA-N
XLogP3.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-oxo-5-triethylsilyloxyhexanoate
CID 11334833
[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dioxohexan-2-yl] acetate
CID 12156625
tert-Butyldimethylsilyl 2-acetoxyhexanoate
CID 91709836
[(5S)-6-oxo-5-tri(propan-2-yl)silyloxyhexyl] 2,2-dimethylpropanoate
CID 101994424
2-[Tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 153875307
[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate
CID 10731983
[(6S)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxoheptan-2-yl] 2,2-dimethylpropanoate
CID 11067931
[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate
CID 11748157
tert-butyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 21763552
Ethyl 6-oxo-5-trimethylsilyloxyhexanoate
CID 21768081
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 46201677
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate
CID 50901630

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate?
The IUPAC name of [(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate (CID 11196997) is [(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate.
What is the SMILES notation for [(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate?
The canonical SMILES for [(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate is CC(=O)O[C@@H](C=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate?
The InChIKey is GLBIEEXASUWDKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-12(16)18-13(11-15)9-7-8-10-17-19(5,6)14(2,3)4/h11,13H,7-10H2,1-6H3/t13-/m1/s1.
What are the key properties of [(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate?
[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate has a molecular weight of 288.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate is sourced from PubChem (CID 11196997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).