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

C12H23BrO3Si — CID 100999051

IUPAC(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](CBr)[C@@H]1CCC(=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/t9-,10+/m0/s1
InChIKeyDTWCYAFYPUNCJW-VHSXEESVSA-N
MW323.30 g/mol
LogP3.48
Rot. Bonds4

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

(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one (PubChem CID 100999051) has the molecular formula C12H23BrO3Si and a molecular weight of 323.30 g/mol. Its IUPAC name is (5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
PubChem CID100999051
Molecular FormulaC12H23BrO3Si
Molecular Weight323.30 g/mol
Exact Mass322.06
IUPAC Name(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](CBr)[C@@H]1CCC(=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/t9-,10+/m0/s1
InChIKeyDTWCYAFYPUNCJW-VHSXEESVSA-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

(5S)-5-[(1R)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-2-one
CID 100999050
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal
CID 10621168
(5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10732272
(5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
CID 10720614
(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-one
CID 11488203
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374785
(5R)-5-[(2S,5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl]thiolan-2-yl]oxolan-2-one
CID 10530639
(5S)-5-[(1S)-1-bromopropyl]oxolan-2-one
CID 134965228
5-(3-hydroxy-1-methoxypropyl)oxolan-2-one
CID 69292086
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one (CID 100999051) is (5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@H](CBr)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
The InChIKey is DTWCYAFYPUNCJW-VHSXEESVSA-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/t9-,10+/m0/s1.
What are the key properties of (5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
(5S)-5-[(1S)-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 (5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one is sourced from PubChem (CID 100999051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).