5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one

C12H23BrO3Si — CID 91750941

IUPAC5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC(CBr)C1CCC(=O)O1
InChIInChI=1S/C12H23BrO3Si/c1-12(2,3)17(4,5)16-10(8-13)9-6-7-11(14)15-9/h9-10H,6-8H2,1-5H3
InChIKeyDTWCYAFYPUNCJW-UHFFFAOYSA-N
MW323.30 g/mol
LogP3.48
Rot. Bonds4

About 5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one

5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one (PubChem CID 91750941) has the molecular formula C12H23BrO3Si and a molecular weight of 323.30 g/mol. Its IUPAC name is 5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
PubChem CID91750941
Molecular FormulaC12H23BrO3Si
Molecular Weight323.30 g/mol
Exact Mass322.06
IUPAC Name5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC(CBr)C1CCC(=O)O1
InChIInChI=1S/C12H23BrO3Si/c1-12(2,3)17(4,5)16-10(8-13)9-6-7-11(14)15-9/h9-10H,6-8H2,1-5H3
InChIKeyDTWCYAFYPUNCJW-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[Tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one
CID 54542353
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 176961730
(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one
CID 11118754
(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 71732446
Methyl 4-bromo-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 92040677
(5S)-5-[(1R)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999048
(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999051
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-one
CID 101776187

Frequently Asked Questions

What is the IUPAC name of 5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
The IUPAC name of 5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one (CID 91750941) is 5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one.
What is the SMILES notation for 5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
The canonical SMILES for 5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one is CC(C)(C)[Si](C)(C)OC(CBr)C1CCC(=O)O1.
What is the InChIKey of 5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
The InChIKey is DTWCYAFYPUNCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO3Si/c1-12(2,3)17(4,5)16-10(8-13)9-6-7-11(14)15-9/h9-10H,6-8H2,1-5H3.
What are the key properties of 5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one has a molecular weight of 323.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one is sourced from PubChem (CID 91750941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).