(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one

C16H30O5Si — CID 71681000

IUPAC(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)O[C@@H]1C=C(CO)C(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O5Si/c1-11(2)20-14-8-12(9-17)15(18)13(21-14)10-19-22(6,7)16(3,4)5/h8,11,13-14,17H,9-10H2,1-7H3/t13-,14+/m1/s1
InChIKeyHVRCPTYFJUITMW-KGLIPLIRSA-N
MW330.50 g/mol
LogP2.65
Rot. Bonds6

About (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one

(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one (PubChem CID 71681000) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one
PubChem CID71681000
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)O[C@@H]1C=C(CO)C(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O5Si/c1-11(2)20-14-8-12(9-17)15(18)13(21-14)10-19-22(6,7)16(3,4)5/h8,11,13-14,17H,9-10H2,1-7H3/t13-,14+/m1/s1
InChIKeyHVRCPTYFJUITMW-KGLIPLIRSA-N
XLogP2.65
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 72819931
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
[(2R,3S,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 134890514
(1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol
CID 122393359
1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 163787834
(2R,4aR,6S,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-4a,8,9,9a-tetrahydro-4H-[1,3]dioxino[5,4-b]oxepin-7-one
CID 11036619
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
[(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 56946449
(2R,3R,4aS,8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2,3-dimethoxy-2,3-dimethyl-8,8a-dihydro-4aH-1,4-benzodioxin-5-one
CID 11429564
(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol
CID 11033877

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one?
The IUPAC name of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one (CID 71681000) is (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one.
What is the SMILES notation for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one?
The canonical SMILES for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one is CC(C)O[C@@H]1C=C(CO)C(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one?
The InChIKey is HVRCPTYFJUITMW-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-11(2)20-14-8-12(9-17)15(18)13(21-14)10-19-22(6,7)16(3,4)5/h8,11,13-14,17H,9-10H2,1-7H3/t13-,14+/m1/s1.
What are the key properties of (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one?
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one has a molecular weight of 330.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one is sourced from PubChem (CID 71681000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).