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

C13H24O4Si — CID 13070165

IUPAC(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
SMILESCO[C@@H]1C(=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)17-9-11-12(15-4)10(14)7-8-16-11/h7-8,11-12H,9H2,1-6H3/t11-,12-/m1/s1
InChIKeyGWGVOINFXAUNAY-VXGBXAGGSA-N
MW272.42 g/mol
LogP2.50
Rot. Bonds4

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

(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one (PubChem CID 13070165) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
PubChem CID13070165
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
SMILESCO[C@@H]1C(=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)17-9-11-12(15-4)10(14)7-8-16-11/h7-8,11-12H,9H2,1-6H3/t11-,12-/m1/s1
InChIKeyGWGVOINFXAUNAY-VXGBXAGGSA-N
XLogP2.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.50
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-methoxy-2,3-dihydropyran-4-one?
The IUPAC name of (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one (CID 13070165) is (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one?
The canonical SMILES for (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one is CO[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-methoxy-2,3-dihydropyran-4-one?
The InChIKey is GWGVOINFXAUNAY-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)17-9-11-12(15-4)10(14)7-8-16-11/h7-8,11-12H,9H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one?
(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one has a molecular weight of 272.42 g/mol, XLogP of 2.50, 4 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-methoxy-2,3-dihydropyran-4-one is sourced from PubChem (CID 13070165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).