(4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one

C12H23BrO4Si — CID 142303787

IUPAC(4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one
SMILESCC1(Br)C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C12H23BrO4Si/c1-11(2,3)18(5,6)16-7-8-9(14)12(4,13)10(15)17-8/h8-9,14H,7H2,1-6H3/t8-,9-,12?/m1/s1
InChIKeyABFJWBJTRFBXFT-LSLJNABFSA-N
MW339.30 g/mol
LogP2.45
Rot. Bonds3

About (4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one

(4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one (PubChem CID 142303787) has the molecular formula C12H23BrO4Si and a molecular weight of 339.30 g/mol. Its IUPAC name is (4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one
PubChem CID142303787
Molecular FormulaC12H23BrO4Si
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name(4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one
SMILESCC1(Br)C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C12H23BrO4Si/c1-11(2,3)18(5,6)16-7-8-9(14)12(4,13)10(15)17-8/h8-9,14H,7H2,1-6H3/t8-,9-,12?/m1/s1
InChIKeyABFJWBJTRFBXFT-LSLJNABFSA-N
XLogP2.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one?
The IUPAC name of (4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one (CID 142303787) is (4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one.
What is the SMILES notation for (4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one?
The canonical SMILES for (4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one is CC1(Br)C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O.
What is the InChIKey of (4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one?
The InChIKey is ABFJWBJTRFBXFT-LSLJNABFSA-N. The full InChI is InChI=1S/C12H23BrO4Si/c1-11(2,3)18(5,6)16-7-8-9(14)12(4,13)10(15)17-8/h8-9,14H,7H2,1-6H3/t8-,9-,12?/m1/s1.
What are the key properties of (4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one?
(4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one has a molecular weight of 339.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyloxolan-2-one is sourced from PubChem (CID 142303787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).