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

C12H22O4Si — CID 134894297

IUPACmethyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
SMILESCOC(=O)[C@@]1(CC(C)C)OC(=O)C1[Si](C)(C)C
InChIInChI=1S/C12H22O4Si/c1-8(2)7-12(11(14)15-3)9(10(13)16-12)17(4,5)6/h8-9H,7H2,1-6H3/t9?,12-/m0/s1
InChIKeyPLSMQKGAWLILKH-ACGXKRRESA-N
MW258.39 g/mol
LogP2.21
Rot. Bonds4

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

methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate (PubChem CID 134894297) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
PubChem CID134894297
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Namemethyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
SMILESCOC(=O)[C@@]1(CC(C)C)OC(=O)C1[Si](C)(C)C
InChIInChI=1S/C12H22O4Si/c1-8(2)7-12(11(14)15-3)9(10(13)16-12)17(4,5)6/h8-9H,7H2,1-6H3/t9?,12-/m0/s1
InChIKeyPLSMQKGAWLILKH-ACGXKRRESA-N
XLogP2.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.21
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

1,1-Dimethylethyl (2R,3S)-3-((1S)-1-methylpropyl)-4-oxo-2-oxetanecarboxylate
CID 11333649
methyl (2S)-2-(2-methylpropyl)-4-oxooxetane-2-carboxylate
CID 101150298
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
tert-butyl (2S,3R)-3-(2-methylpropyl)-4-oxooxetane-2-carboxylate
CID 10799360
Diethyl 2-[3-[diethoxy(ethyl)silyl]propoxy]-2-propylbutanedioate
CID 124027086
CID 155629471
CID 155629471
Tert-butyl 3-butan-2-yl-4-oxooxetane-2-carboxylate
CID 5247557
tert-butyl (2R,3S)-3-[(2S)-butan-2-yl]-2-methyl-4-oxooxetane-2-carboxylate
CID 60194805
tert-butyl (2S,3R)-3-[(2S)-butan-2-yl]-2-methyl-4-oxooxetane-2-carboxylate
CID 60196054
tert-butyl (2R,3S)-3-(2-methylpropyl)-4-oxooxetane-2-carboxylate
CID 72696058
tert-butyl (2R,3S)-3-methyl-3-(2-methylpropyl)-4-oxooxetane-2-carboxylate
CID 72696063

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The IUPAC name of methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate (CID 134894297) is methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The canonical SMILES for methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate is COC(=O)[C@@]1(CC(C)C)OC(=O)C1[Si](C)(C)C.
What is the InChIKey of methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The InChIKey is PLSMQKGAWLILKH-ACGXKRRESA-N. The full InChI is InChI=1S/C12H22O4Si/c1-8(2)7-12(11(14)15-3)9(10(13)16-12)17(4,5)6/h8-9H,7H2,1-6H3/t9?,12-/m0/s1.
What are the key properties of methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate has a molecular weight of 258.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate is sourced from PubChem (CID 134894297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).