methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate

C13H26O4Si — CID 71732534

IUPACmethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate
SMILESCOC(=O)CCC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-10(11(14)8-9-12(15)16-5)17-18(6,7)13(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyZUVLORROFFOGQB-JTQLQIEISA-N
MW274.43 g/mol
LogP2.92
Rot. Bonds6

About methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate

methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate (PubChem CID 71732534) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate.

Molecular Properties

Compound Namemethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate
PubChem CID71732534
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Namemethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate
SMILESCOC(=O)CCC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-10(11(14)8-9-12(15)16-5)17-18(6,7)13(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyZUVLORROFFOGQB-JTQLQIEISA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.92
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
Ethyl 5(r)-t-butyldimethylsilyloxyhexanoate
CID 10516491
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 11139869
Ethyl 5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 21670466
ethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 57734119
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate
CID 88853226
methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 11436899
Methyl 5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 11807436
Ethyl 6-oxo-5-trimethylsilyloxyhexanoate
CID 21768081
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 46201677
Methyl 2-oxo-5-trimethylsilyloxyhexanoate
CID 46916014
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate
CID 50901630

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate?
The IUPAC name of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate (CID 71732534) is methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate.
What is the SMILES notation for methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate?
The canonical SMILES for methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate is COC(=O)CCC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate?
The InChIKey is ZUVLORROFFOGQB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H26O4Si/c1-10(11(14)8-9-12(15)16-5)17-18(6,7)13(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate?
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate has a molecular weight of 274.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanoate is sourced from PubChem (CID 71732534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).