(2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one

C14H26O3Si — CID 10849681

IUPAC(2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one
SMILESCC(C)(C)[C@@H]1OC(=O)C=C[C@@H]1OCC[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)13-11(7-8-12(15)17-13)16-9-10-18(4,5)6/h7-8,11,13H,9-10H2,1-6H3/t11-,13+/m0/s1
InChIKeyFGDJRHOGYGWDJK-WCQYABFASA-N
MW270.44 g/mol
LogP3.24
Rot. Bonds4

About (2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one

(2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one (PubChem CID 10849681) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one
PubChem CID10849681
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one
SMILESCC(C)(C)[C@@H]1OC(=O)C=C[C@@H]1OCC[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)13-11(7-8-12(15)17-13)16-9-10-18(4,5)6/h7-8,11,13H,9-10H2,1-6H3/t11-,13+/m0/s1
InChIKeyFGDJRHOGYGWDJK-WCQYABFASA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.24
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 (2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one (CID 10849681) is (2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one is CC(C)(C)[C@@H]1OC(=O)C=C[C@@H]1OCC[Si](C)(C)C.
What is the InChIKey of (2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one?
The InChIKey is FGDJRHOGYGWDJK-WCQYABFASA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)13-11(7-8-12(15)17-13)16-9-10-18(4,5)6/h7-8,11,13H,9-10H2,1-6H3/t11-,13+/m0/s1.
What are the key properties of (2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one?
(2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one has a molecular weight of 270.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-tert-butyl-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one is sourced from PubChem (CID 10849681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).