methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate

C9H16O4Si — CID 134894176

IUPACmethyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
SMILESCOC(=O)[C@@]1(C)OC(=O)C1[Si](C)(C)C
InChIInChI=1S/C9H16O4Si/c1-9(8(11)12-2)6(7(10)13-9)14(3,4)5/h6H,1-5H3/t6?,9-/m0/s1
InChIKeyMLSOQLVEVDFHHG-HSOSERFQSA-N
MW216.31 g/mol
LogP1.18
Rot. Bonds2

About methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate

methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate (PubChem CID 134894176) has the molecular formula C9H16O4Si and a molecular weight of 216.31 g/mol. Its IUPAC name is methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
PubChem CID134894176
Molecular FormulaC9H16O4Si
Molecular Weight216.31 g/mol
Exact Mass216.08
IUPAC Namemethyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
SMILESCOC(=O)[C@@]1(C)OC(=O)C1[Si](C)(C)C
InChIInChI=1S/C9H16O4Si/c1-9(8(11)12-2)6(7(10)13-9)14(3,4)5/h6H,1-5H3/t6?,9-/m0/s1
InChIKeyMLSOQLVEVDFHHG-HSOSERFQSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-methyl-4-oxooxetane-2-carboxylate
CID 75089214
Tert-butyl 2-methyl-4-oxooxetane-2-carboxylate
CID 146570372
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one
CID 162399979
methyl (2S)-2-methyl-4-oxooxetane-2-carboxylate
CID 45090012
ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
CID 134894186
methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
CID 134894264
ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate
CID 134894265
4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate
CID 155931206
Dimethyl 2-methyl-2-trimethylsilyloxybutanedioate
CID 88549724
Butyl 2-methyl-4-oxooxetane-2-carboxylate
CID 166907837
Dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate
CID 173498387
ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
CID 11356372

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The IUPAC name of methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate (CID 134894176) is methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The canonical SMILES for methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate is COC(=O)[C@@]1(C)OC(=O)C1[Si](C)(C)C.
What is the InChIKey of methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The InChIKey is MLSOQLVEVDFHHG-HSOSERFQSA-N. The full InChI is InChI=1S/C9H16O4Si/c1-9(8(11)12-2)6(7(10)13-9)14(3,4)5/h6H,1-5H3/t6?,9-/m0/s1.
What are the key properties of methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate has a molecular weight of 216.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate is sourced from PubChem (CID 134894176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).