ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate

C12H22O4Si — CID 134894265

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

About ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate

ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate (PubChem CID 134894265) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate
PubChem CID134894265
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Nameethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate
SMILESCCOC(=O)[C@@]1(C(C)C)OC(=O)C1[Si](C)(C)C
InChIInChI=1S/C12H22O4Si/c1-7-15-11(14)12(8(2)3)9(10(13)16-12)17(4,5)6/h8-9H,7H2,1-6H3/t9?,12-/m0/s1
InChIKeyJAGDTVFJBABDQW-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

tert-butyl (2R,3S)-3-isopropyl-4-oxooxetane-2-carboxylate
CID 168962003
1,1-Dimethylethyl (2R,3S)-3-((1S)-1-methylpropyl)-4-oxo-2-oxetanecarboxylate
CID 11333649
ethyl (2R)-4-oxo-2-propan-2-yloxetane-2-carboxylate
CID 101150299
methyl (2R)-2-methyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
CID 134894176
methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
CID 134894264
methyl (2R)-2-(2-methylpropyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
CID 134894297
Dimethyl 4,4-dimethyloxetane-2,3-dicarboxylate
CID 146166300
methyl (2R,3S)-3-isopropyl-4-oxooxetane-2-carboxylate
CID 171975699
2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate
CID 158281273
tert-butyl (2S,3R)-4-oxo-3-propan-2-yloxetane-2-carboxylate
CID 168962083
2-trimethylsilylethyl (2R)-2-(4-butoxy-4-methylpent-2-ynyl)-4-oxooxetane-2-carboxylate
CID 173656352
Tert-butyl 3-butan-2-yl-4-oxooxetane-2-carboxylate
CID 5247557

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate?
The IUPAC name of ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate (CID 134894265) is ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate.
What is the SMILES notation for ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate?
The canonical SMILES for ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate is CCOC(=O)[C@@]1(C(C)C)OC(=O)C1[Si](C)(C)C.
What is the InChIKey of ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate?
The InChIKey is JAGDTVFJBABDQW-ACGXKRRESA-N. The full InChI is InChI=1S/C12H22O4Si/c1-7-15-11(14)12(8(2)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 ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate?
ethyl (2R)-4-oxo-2-propan-2-yl-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 ethyl (2R)-4-oxo-2-propan-2-yl-3-trimethylsilyloxetane-2-carboxylate is sourced from PubChem (CID 134894265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).