(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol

C20H38O4Si2 — CID 11327011

IUPAC(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C(C#C[Si](C)(C)C)[C@H]1O
InChIInChI=1S/C20H38O4Si2/c1-15(2)23-19-18(21)16(11-12-25(6,7)8)13-17(24-19)14-22-26(9,10)20(3,4)5/h13,15,17-19,21H,14H2,1-10H3/t17-,18+,19-/m0/s1
InChIKeyUVYILGYBOAXSQL-OTWHNJEPSA-N
MW398.69 g/mol
LogP4.33
Rot. Bonds5

About (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol

(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11327011) has the molecular formula C20H38O4Si2 and a molecular weight of 398.69 g/mol. Its IUPAC name is (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID11327011
Molecular FormulaC20H38O4Si2
Molecular Weight398.69 g/mol
Exact Mass398.23
IUPAC Name(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C(C#C[Si](C)(C)C)[C@H]1O
InChIInChI=1S/C20H38O4Si2/c1-15(2)23-19-18(21)16(11-12-25(6,7)8)13-17(24-19)14-22-26(9,10)20(3,4)5/h13,15,17-19,21H,14H2,1-10H3/t17-,18+,19-/m0/s1
InChIKeyUVYILGYBOAXSQL-OTWHNJEPSA-N
XLogP4.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.69
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol
CID 102093229
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]cyclopent-2-en-1-ol
CID 139616241
(2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol
CID 10267547
(2R,3S,6S)-6-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10471049
(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 10613375
(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-3-ol
CID 10639158
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol
CID 10640042
(E,4S,5R)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(methoxymethoxy)oct-6-en-2-yn-4-ol
CID 10670981
(2R,3S,6S)-6-but-3-enoxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10710403
(Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol
CID 10740131
(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 10755819

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol (CID 11327011) is (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol is CC(C)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C(C#C[Si](C)(C)C)[C@H]1O.
What is the InChIKey of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is UVYILGYBOAXSQL-OTWHNJEPSA-N. The full InChI is InChI=1S/C20H38O4Si2/c1-15(2)23-19-18(21)16(11-12-25(6,7)8)13-17(24-19)14-22-26(9,10)20(3,4)5/h13,15,17-19,21H,14H2,1-10H3/t17-,18+,19-/m0/s1.
What are the key properties of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol?
(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 398.69 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11327011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).