(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one

C13H24O3Si — CID 58078446

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one
SMILESCC[C@H]1OC(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-10-11(8-9-12(14)15-10)16-17(5,6)13(2,3)4/h8-11H,7H2,1-6H3/t10-,11-/m1/s1
InChIKeyMJWDPCWDULBPJF-GHMZBOCLSA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds3

About (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one (PubChem CID 58078446) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one
PubChem CID58078446
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one
SMILESCC[C@H]1OC(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-10-11(8-9-12(14)15-10)16-17(5,6)13(2,3)4/h8-11H,7H2,1-6H3/t10-,11-/m1/s1
InChIKeyMJWDPCWDULBPJF-GHMZBOCLSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one (CID 58078446) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one is CC[C@H]1OC(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one?
The InChIKey is MJWDPCWDULBPJF-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-10-11(8-9-12(14)15-10)16-17(5,6)13(2,3)4/h8-11H,7H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one has a molecular weight of 256.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 58078446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).