methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate

C13H26O5Si — CID 10334426

IUPACmethyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)OC
InChIInChI=1S/C13H26O5Si/c1-13(2,3)19(6,7)18-10(8-12(15)17-5)11(9-14)16-4/h9-11H,8H2,1-7H3/t10-,11-/m1/s1
InChIKeyWKTNXNYCLYRMIC-GHMZBOCLSA-N
MW290.43 g/mol
LogP2.15
Rot. Bonds7

About methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate

methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate (PubChem CID 10334426) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate
PubChem CID10334426
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Namemethyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)OC
InChIInChI=1S/C13H26O5Si/c1-13(2,3)19(6,7)18-10(8-12(15)17-5)11(9-14)16-4/h9-11H,8H2,1-7H3/t10-,11-/m1/s1
InChIKeyWKTNXNYCLYRMIC-GHMZBOCLSA-N
XLogP2.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate?
The IUPAC name of methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate (CID 10334426) is methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate.
What is the SMILES notation for methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate?
The canonical SMILES for methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate is COC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)OC.
What is the InChIKey of methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate?
The InChIKey is WKTNXNYCLYRMIC-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-13(2,3)19(6,7)18-10(8-12(15)17-5)11(9-14)16-4/h9-11H,8H2,1-7H3/t10-,11-/m1/s1.
What are the key properties of methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate?
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate has a molecular weight of 290.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate is sourced from PubChem (CID 10334426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).