methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate

C16H24O5Si — CID 134962460

IUPACmethyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate
SMILESCOC(=O)[C@@](C)(O[Si](C)(C)C)C(=O)COCc1ccccc1
InChIInChI=1S/C16H24O5Si/c1-16(15(18)19-2,21-22(3,4)5)14(17)12-20-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3/t16-/m0/s1
InChIKeyASCJYTAFAYZFDX-INIZCTEOSA-N
MW324.45 g/mol
LogP2.56
Rot. Bonds8

About methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate

methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate (PubChem CID 134962460) has the molecular formula C16H24O5Si and a molecular weight of 324.45 g/mol. Its IUPAC name is methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate
PubChem CID134962460
Molecular FormulaC16H24O5Si
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Namemethyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate
SMILESCOC(=O)[C@@](C)(O[Si](C)(C)C)C(=O)COCc1ccccc1
InChIInChI=1S/C16H24O5Si/c1-16(15(18)19-2,21-22(3,4)5)14(17)12-20-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3/t16-/m0/s1
InChIKeyASCJYTAFAYZFDX-INIZCTEOSA-N
XLogP2.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate?
The IUPAC name of methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate (CID 134962460) is methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate.
What is the SMILES notation for methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate?
The canonical SMILES for methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate is COC(=O)[C@@](C)(O[Si](C)(C)C)C(=O)COCc1ccccc1.
What is the InChIKey of methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate?
The InChIKey is ASCJYTAFAYZFDX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24O5Si/c1-16(15(18)19-2,21-22(3,4)5)14(17)12-20-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3/t16-/m0/s1.
What are the key properties of methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate?
methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate has a molecular weight of 324.45 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate is sourced from PubChem (CID 134962460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).