(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one

C16H30O4Si — CID 11186113

IUPAC(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one
SMILESCC1=CC(=O)[C@@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OC1(C)O
InChIInChI=1S/C16H30O4Si/c1-11-9-13(17)14(19-16(11,6)18)10-12(2)20-21(7,8)15(3,4)5/h9,12,14,18H,10H2,1-8H3/t12-,14+,16?/m0/s1
InChIKeyWMRNJDYHQBLZFD-XNVGXSDDSA-N
MW314.50 g/mol
LogP3.41
Rot. Bonds4

About (2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one

(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one (PubChem CID 11186113) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one
PubChem CID11186113
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one
SMILESCC1=CC(=O)[C@@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OC1(C)O
InChIInChI=1S/C16H30O4Si/c1-11-9-13(17)14(19-16(11,6)18)10-12(2)20-21(7,8)15(3,4)5/h9,12,14,18H,10H2,1-8H3/t12-,14+,16?/m0/s1
InChIKeyWMRNJDYHQBLZFD-XNVGXSDDSA-N
XLogP3.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 54768208
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-3-ethoxy-5,5-dimethylcyclohex-2-en-1-one
CID 11810387
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
CID 11746885
2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione
CID 21111569
3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid
CID 76827468
6-[(E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 135011565
3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one
CID 123455813
5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-oxazolidin-2-one
CID 67351430
5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-oxazolidin-2-one
CID 67130959
(1S)-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2,4-trimethylcyclohex-3-en-1-ol
CID 132551505

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one?
The IUPAC name of (2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one (CID 11186113) is (2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one.
What is the SMILES notation for (2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one?
The canonical SMILES for (2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one is CC1=CC(=O)[C@@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OC1(C)O.
What is the InChIKey of (2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one?
The InChIKey is WMRNJDYHQBLZFD-XNVGXSDDSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-11-9-13(17)14(19-16(11,6)18)10-12(2)20-21(7,8)15(3,4)5/h9,12,14,18H,10H2,1-8H3/t12-,14+,16?/m0/s1.
What are the key properties of (2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one?
(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one has a molecular weight of 314.50 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one is sourced from PubChem (CID 11186113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).