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

C10H17BrO4Si — CID 134894186

IUPACethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
SMILESCCOC(=O)[C@@]1(CBr)OC(=O)C1[Si](C)(C)C
InChIInChI=1S/C10H17BrO4Si/c1-5-14-9(13)10(6-11)7(8(12)15-10)16(2,3)4/h7H,5-6H2,1-4H3/t7?,10-/m0/s1
InChIKeyMGNPTVUUIXVFGW-MHPPCMCBSA-N
MW309.23 g/mol
LogP1.95
Rot. Bonds4

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

ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate (PubChem CID 134894186) has the molecular formula C10H17BrO4Si and a molecular weight of 309.23 g/mol. Its IUPAC name is ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
PubChem CID134894186
Molecular FormulaC10H17BrO4Si
Molecular Weight309.23 g/mol
Exact Mass308.01
IUPAC Nameethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate
SMILESCCOC(=O)[C@@]1(CBr)OC(=O)C1[Si](C)(C)C
InChIInChI=1S/C10H17BrO4Si/c1-5-14-9(13)10(6-11)7(8(12)15-10)16(2,3)4/h7H,5-6H2,1-4H3/t7?,10-/m0/s1
InChIKeyMGNPTVUUIXVFGW-MHPPCMCBSA-N
XLogP1.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The IUPAC name of ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate (CID 134894186) is ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate.
What is the SMILES notation for ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The canonical SMILES for ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate is CCOC(=O)[C@@]1(CBr)OC(=O)C1[Si](C)(C)C.
What is the InChIKey of ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The InChIKey is MGNPTVUUIXVFGW-MHPPCMCBSA-N. The full InChI is InChI=1S/C10H17BrO4Si/c1-5-14-9(13)10(6-11)7(8(12)15-10)16(2,3)4/h7H,5-6H2,1-4H3/t7?,10-/m0/s1.
What are the key properties of ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate has a molecular weight of 309.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(bromomethyl)-4-oxo-3-trimethylsilyloxetane-2-carboxylate is sourced from PubChem (CID 134894186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).