methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

C12H24O4Si — CID 90222513

IUPACmethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCOC(=O)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10(7-8-13)9-11(14)15-4/h8,10H,7,9H2,1-6H3/t10-/m0/s1
InChIKeyZEPDOYUWXXKUHZ-JTQLQIEISA-N
MW260.41 g/mol
LogP2.53
Rot. Bonds6

About methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (PubChem CID 90222513) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
PubChem CID90222513
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCOC(=O)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10(7-8-13)9-11(14)15-4/h8,10H,7,9H2,1-6H3/t10-/m0/s1
InChIKeyZEPDOYUWXXKUHZ-JTQLQIEISA-N
XLogP2.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (CID 90222513) is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.
What is the SMILES notation for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The canonical SMILES for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is COC(=O)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The InChIKey is ZEPDOYUWXXKUHZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10(7-8-13)9-11(14)15-4/h8,10H,7,9H2,1-6H3/t10-/m0/s1.
What are the key properties of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate has a molecular weight of 260.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is sourced from PubChem (CID 90222513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).