[(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate

C20H40O5Si2 — CID 11004258

IUPAC[(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC[Si](CC)(CC)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OC(C)=O
InChIInChI=1S/C20H40O5Si2/c1-10-27(11-2,12-3)25-17-13-14-22-18(19(17)24-16(4)21)15-23-26(8,9)20(5,6)7/h13-14,17-19H,10-12,15H2,1-9H3/t17-,18-,19+/m1/s1
InChIKeyPQOLEFMBYXZDRM-QRVBRYPASA-N
MW416.71 g/mol
LogP5.24
Rot. Bonds9

About [(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate

[(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate (PubChem CID 11004258) has the molecular formula C20H40O5Si2 and a molecular weight of 416.71 g/mol. Its IUPAC name is [(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate
PubChem CID11004258
Molecular FormulaC20H40O5Si2
Molecular Weight416.71 g/mol
Exact Mass416.24
IUPAC Name[(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC[Si](CC)(CC)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OC(C)=O
InChIInChI=1S/C20H40O5Si2/c1-10-27(11-2,12-3)25-17-13-14-22-18(19(17)24-16(4)21)15-23-26(8,9)20(5,6)7/h13-14,17-19H,10-12,15H2,1-9H3/t17-,18-,19+/m1/s1
InChIKeyPQOLEFMBYXZDRM-QRVBRYPASA-N
XLogP5.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.71
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
1,5-Anhydro-2-deoxy-3,4,6-tris-O-(triisopropylsilyl)-D-arabino-hex-1-enitol
CID 11181065
[(2R,3R,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 16213682
3,4-di-acetyl-6-O-(tert-butyldimethylsilyl)-D-Galactal
CID 10450207
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
CID 134940111
triethyl-[[(2R,3R,4R)-3-triethylsilyloxy-2-(triethylsilyloxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 10863880
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10961214
D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-6-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3,4-diacetate
CID 11405211
[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10450206
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] acetate
CID 11348035
3,4-Di-O-acetyl-6-O-(triisopropylsilyl)-D-glucal
CID 11731809
(2,2-Ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl) acetate
CID 72811302

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate (CID 11004258) is [(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate is CC[Si](CC)(CC)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is PQOLEFMBYXZDRM-QRVBRYPASA-N. The full InChI is InChI=1S/C20H40O5Si2/c1-10-27(11-2,12-3)25-17-13-14-22-18(19(17)24-16(4)21)15-23-26(8,9)20(5,6)7/h13-14,17-19H,10-12,15H2,1-9H3/t17-,18-,19+/m1/s1.
What are the key properties of [(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate?
[(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 416.71 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 11004258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).