(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one

C18H36O4Si2 — CID 10738067

IUPAC(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one
SMILESCC[Si](CC)(CC)O[C@@H]1C(=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si2/c1-9-24(10-2,11-3)22-17-15(19)12-13-20-16(17)14-21-23(7,8)18(4,5)6/h12-13,16-17H,9-11,14H2,1-8H3/t16-,17-/m1/s1
InChIKeyWEHZLEGYCFPZQA-IAGOWNOFSA-N
MW372.65 g/mol
LogP4.88
Rot. Bonds8

About (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one

(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one (PubChem CID 10738067) has the molecular formula C18H36O4Si2 and a molecular weight of 372.65 g/mol. Its IUPAC name is (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one
PubChem CID10738067
Molecular FormulaC18H36O4Si2
Molecular Weight372.65 g/mol
Exact Mass372.22
IUPAC Name(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one
SMILESCC[Si](CC)(CC)O[C@@H]1C(=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si2/c1-9-24(10-2,11-3)22-17-15(19)12-13-20-16(17)14-21-23(7,8)18(4,5)6/h12-13,16-17H,9-11,14H2,1-8H3/t16-,17-/m1/s1
InChIKeyWEHZLEGYCFPZQA-IAGOWNOFSA-N
XLogP4.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.88
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 (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one?
The IUPAC name of (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one (CID 10738067) is (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one?
The canonical SMILES for (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one is CC[Si](CC)(CC)O[C@@H]1C(=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one?
The InChIKey is WEHZLEGYCFPZQA-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H36O4Si2/c1-9-24(10-2,11-3)22-17-15(19)12-13-20-16(17)14-21-23(7,8)18(4,5)6/h12-13,16-17H,9-11,14H2,1-8H3/t16-,17-/m1/s1.
What are the key properties of (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one?
(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one has a molecular weight of 372.65 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-triethylsilyloxy-2,3-dihydropyran-4-one is sourced from PubChem (CID 10738067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).