ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate

C9H16O4Si — CID 11356372

IUPACethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
SMILESCCOC(=O)[C@H]1OC(=O)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C9H16O4Si/c1-5-12-8(10)6-7(9(11)13-6)14(2,3)4/h6-7H,5H2,1-4H3/t6-,7+/m0/s1
InChIKeyINPCAPUAFIUZTQ-NKWVEPMBSA-N
MW216.31 g/mol
LogP1.18
Rot. Bonds3

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

ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate (PubChem CID 11356372) has the molecular formula C9H16O4Si and a molecular weight of 216.31 g/mol. Its IUPAC name is ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
PubChem CID11356372
Molecular FormulaC9H16O4Si
Molecular Weight216.31 g/mol
Exact Mass216.08
IUPAC Nameethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
SMILESCCOC(=O)[C@H]1OC(=O)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C9H16O4Si/c1-5-12-8(10)6-7(9(11)13-6)14(2,3)4/h6-7H,5H2,1-4H3/t6-,7+/m0/s1
InChIKeyINPCAPUAFIUZTQ-NKWVEPMBSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The IUPAC name of ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate (CID 11356372) is ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The canonical SMILES for ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate is CCOC(=O)[C@H]1OC(=O)[C@@H]1[Si](C)(C)C.
What is the InChIKey of ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The InChIKey is INPCAPUAFIUZTQ-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H16O4Si/c1-5-12-8(10)6-7(9(11)13-6)14(2,3)4/h6-7H,5H2,1-4H3/t6-,7+/m0/s1.
What are the key properties of ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate has a molecular weight of 216.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-4-oxo-3-trimethylsilyloxetane-2-carboxylate is sourced from PubChem (CID 11356372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).