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

C20H40O5Si2 — CID 134875305

IUPAC[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O5Si2/c1-15(21)24-16-12-13-22-17(14-23-26(8,9)19(2,3)4)18(16)25-27(10,11)20(5,6)7/h12-13,16-18H,14H2,1-11H3/t16-,17-,18-/m1/s1
InChIKeyNTKOZUWOWHLCII-KZNAEPCWSA-N
MW416.71 g/mol
LogP5.24
Rot. Bonds6

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

[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate (PubChem CID 134875305) has the molecular formula C20H40O5Si2 and a molecular weight of 416.71 g/mol. Its IUPAC name is [(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
PubChem CID134875305
Molecular FormulaC20H40O5Si2
Molecular Weight416.71 g/mol
Exact Mass416.24
IUPAC Name[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O5Si2/c1-15(21)24-16-12-13-22-17(14-23-26(8,9)19(2,3)4)18(16)25-27(10,11)20(5,6)7/h12-13,16-18H,14H2,1-11H3/t16-,17-,18-/m1/s1
InChIKeyNTKOZUWOWHLCII-KZNAEPCWSA-N
XLogP5.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
[(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
triethyl-[[(2R,3R,4R)-3-triethylsilyloxy-2-(triethylsilyloxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 10863880
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
[(2R,3S,4R)-3,4-bis(2,2-dimethylpropanoyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 11732067
[3,4-bis(2,2-dimethylpropanoyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 13944173
(2,2-Ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl) acetate
CID 72811302
[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 91434141

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The IUPAC name of [(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate (CID 134875305) is [(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate.
What is the SMILES notation for [(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The canonical SMILES for [(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate is CC(=O)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The InChIKey is NTKOZUWOWHLCII-KZNAEPCWSA-N. The full InChI is InChI=1S/C20H40O5Si2/c1-15(21)24-16-12-13-22-17(14-23-26(8,9)19(2,3)4)18(16)25-27(10,11)20(5,6)7/h12-13,16-18H,14H2,1-11H3/t16-,17-,18-/m1/s1.
What are the key properties of [(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate has a molecular weight of 416.71 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate is sourced from PubChem (CID 134875305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).