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

C14H26O4Si — CID 14054746

IUPAC[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](C)OC=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-10-13(17-11(2)15)12(8-9-16-10)18-19(6,7)14(3,4)5/h8-10,12-13H,1-7H3/t10-,12-,13-/m1/s1
InChIKeyLJHFIZOQWKSCDQ-RAIGVLPGSA-N
MW286.44 g/mol
LogP3.24
Rot. Bonds3

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

[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate (PubChem CID 14054746) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is [(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
PubChem CID14054746
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](C)OC=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-10-13(17-11(2)15)12(8-9-16-10)18-19(6,7)14(3,4)5/h8-10,12-13H,1-7H3/t10-,12-,13-/m1/s1
InChIKeyLJHFIZOQWKSCDQ-RAIGVLPGSA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 59672533
[(2S,3S,4S)-2-methyl-4-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-3-yl] acetate
CID 162842664
[(2R,3R,4R)-3-acetyloxy-4-[[(2S,3S,4R,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 101370422
[(1S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-yl] acetate
CID 11012042
[(2R,3R,4R)-3,4-diacetyloxy-(513C)3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 118855924
benzyl 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate
CID 11049084
[(2S,3R,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-methoxy-6-methyloxan-2-yl] acetate
CID 24788005
[(4aR,7S,8S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4a,7,8,8a-tetrahydro-4H-1,3-benzodioxin-8-yl] acetate
CID 11732215
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
[(1R,2R,3S,4S,5S,6R,7R,8R)-2,3,4,5-tetraacetyloxy-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-8-(hydroxymethyl)cyclooctyl] acetate
CID 25258188

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate (CID 14054746) is [(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate is CC(=O)O[C@@H]1[C@@H](C)OC=C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is LJHFIZOQWKSCDQ-RAIGVLPGSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-10-13(17-11(2)15)12(8-9-16-10)18-19(6,7)14(3,4)5/h8-10,12-13H,1-7H3/t10-,12-,13-/m1/s1.
What are the key properties of [(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 286.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 14054746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).