(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one

C15H26O4Si — CID 50993172

IUPAC(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one
SMILESC=CC[C@@H]1O[C@](O)(CO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C15H26O4Si/c1-7-8-13-12(16)9-10-15(17,19-13)11-18-20(5,6)14(2,3)4/h7,9-10,13,17H,1,8,11H2,2-6H3/t13-,15-/m0/s1
InChIKeyNVUVOMYCTKMWNI-ZFWWWQNUSA-N
MW298.46 g/mol
LogP2.80
Rot. Bonds5

About (2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one

(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one (PubChem CID 50993172) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is (2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one.

Molecular Properties

Compound Name(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one
PubChem CID50993172
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Name(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one
SMILESC=CC[C@@H]1O[C@](O)(CO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C15H26O4Si/c1-7-8-13-12(16)9-10-15(17,19-13)11-18-20(5,6)14(2,3)4/h7,9-10,13,17H,1,8,11H2,2-6H3/t13-,15-/m0/s1
InChIKeyNVUVOMYCTKMWNI-ZFWWWQNUSA-N
XLogP2.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one
CID 57386215
(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 11368925
(2S,3S)-2-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxopent-1-enyl]-3-hydroxy-2,3-dihydropyran-6-one
CID 11624020
2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one
CID 134936219
(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 11097256
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 72819931
(2R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 10515388
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 10539160
6-Hydroxy-6-(3-trimethylsilylprop-2-ynoxymethyl)pyran-3-one
CID 12177516
(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
(2S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-hydroxypyran-3-one
CID 44195305

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one?
The IUPAC name of (2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one (CID 50993172) is (2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one.
What is the SMILES notation for (2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one?
The canonical SMILES for (2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one is C=CC[C@@H]1O[C@](O)(CO[Si](C)(C)C(C)(C)C)C=CC1=O.
What is the InChIKey of (2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one?
The InChIKey is NVUVOMYCTKMWNI-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-7-8-13-12(16)9-10-15(17,19-13)11-18-20(5,6)14(2,3)4/h7,9-10,13,17H,1,8,11H2,2-6H3/t13-,15-/m0/s1.
What are the key properties of (2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one?
(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one has a molecular weight of 298.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-2-prop-2-enylpyran-3-one is sourced from PubChem (CID 50993172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).