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

C12H24O4Si — CID 58065771

IUPAC(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one
SMILESCO[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-9-7-10(13)15-11(8-9)14-4/h9,11H,7-8H2,1-6H3/t9-,11-/m0/s1
InChIKeyNAHHUMJPGUITKQ-ONGXEEELSA-N
MW260.41 g/mol
LogP2.69
Rot. Bonds3

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

(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one (PubChem CID 58065771) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one
PubChem CID58065771
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one
SMILESCO[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-9-7-10(13)15-11(8-9)14-4/h9,11H,7-8H2,1-6H3/t9-,11-/m0/s1
InChIKeyNAHHUMJPGUITKQ-ONGXEEELSA-N
XLogP2.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-methoxyoxan-2-one?
The IUPAC name of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one (CID 58065771) is (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one.
What is the SMILES notation for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one?
The canonical SMILES for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one is CO[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.
What is the InChIKey of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one?
The InChIKey is NAHHUMJPGUITKQ-ONGXEEELSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-9-7-10(13)15-11(8-9)14-4/h9,11H,7-8H2,1-6H3/t9-,11-/m0/s1.
What are the key properties of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one?
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one has a molecular weight of 260.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one is sourced from PubChem (CID 58065771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).