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

C16H30O4Si — CID 12041727

IUPAC(2S)-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-GKPPEQDDSA-N
MW314.50 g/mol
LogP3.41
Rot. Bonds4

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

(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one (PubChem CID 12041727) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one
PubChem CID12041727
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(2S)-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-GKPPEQDDSA-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

(2S)-6-hydroxy-6-methyl-2-[(2S,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one
CID 138979490
6-Hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one
CID 162417299
(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one
CID 11186113
(2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
CID 23730190
(2S)-2-[(2R)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
CID 23730195
(2R,6R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one
CID 101219216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one?
The IUPAC name of (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one (CID 12041727) is (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one.
What is the SMILES notation for (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one?
The canonical SMILES for (2S)-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 (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one?
The InChIKey is WMRNJDYHQBLZFD-GKPPEQDDSA-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 (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one?
(2S)-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 (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one is sourced from PubChem (CID 12041727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).