(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one

C12H23IO3Si — CID 10937529

IUPAC(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)O[C@H](CI)C1
InChIInChI=1S/C12H23IO3Si/c1-12(2,3)17(4,5)16-9-6-10(8-13)15-11(14)7-9/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyXBRCHADUTVPKFL-ZJUUUORDSA-N
MW370.30 g/mol
LogP3.52
Rot. Bonds3

About (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one

(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one (PubChem CID 10937529) has the molecular formula C12H23IO3Si and a molecular weight of 370.30 g/mol. Its IUPAC name is (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one
PubChem CID10937529
Molecular FormulaC12H23IO3Si
Molecular Weight370.30 g/mol
Exact Mass370.05
IUPAC Name(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)O[C@H](CI)C1
InChIInChI=1S/C12H23IO3Si/c1-12(2,3)17(4,5)16-9-6-10(8-13)15-11(14)7-9/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyXBRCHADUTVPKFL-ZJUUUORDSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 53.52
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one?
The IUPAC name of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one (CID 10937529) is (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one.
What is the SMILES notation for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one?
The canonical SMILES for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)O[C@H](CI)C1.
What is the InChIKey of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one?
The InChIKey is XBRCHADUTVPKFL-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H23IO3Si/c1-12(2,3)17(4,5)16-9-6-10(8-13)15-11(14)7-9/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one?
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one has a molecular weight of 370.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(iodomethyl)oxan-2-one is sourced from PubChem (CID 10937529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).