[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate

C16H26O4Si — CID 11182171

IUPAC[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESC#C[C@H]1O[C@H](COC(C)=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26O4Si/c1-8-14-15(20-21(6,7)16(3,4)5)10-9-13(19-14)11-18-12(2)17/h1,9-10,13-15H,11H2,2-7H3/t13-,14+,15+/m0/s1
InChIKeyVOSVDGVBJCNCPU-RRFJBIMHSA-N
MW310.47 g/mol
LogP2.90
Rot. Bonds4

About [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate

[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate (PubChem CID 11182171) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate
PubChem CID11182171
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESC#C[C@H]1O[C@H](COC(C)=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26O4Si/c1-8-14-15(20-21(6,7)16(3,4)5)10-9-13(19-14)11-18-12(2)17/h1,9-10,13-15H,11H2,2-7H3/t13-,14+,15+/m0/s1
InChIKeyVOSVDGVBJCNCPU-RRFJBIMHSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 11730884
[(2R,3S,6R)-3-acetyloxy-6-prop-2-ynyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101196752
[(2R,3S,6S)-3-acetyloxy-6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101038645
[(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
[(2R,3S,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802
[(2R,3S)-3-acetyloxy-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11460356
[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate
CID 10925204
[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 14054746
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
CID 10787861
(3-acetyloxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 14214897
N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide
CID 10826011

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The IUPAC name of [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate (CID 11182171) is [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The canonical SMILES for [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate is C#C[C@H]1O[C@H](COC(C)=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The InChIKey is VOSVDGVBJCNCPU-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-8-14-15(20-21(6,7)16(3,4)5)10-9-13(19-14)11-18-12(2)17/h1,9-10,13-15H,11H2,2-7H3/t13-,14+,15+/m0/s1.
What are the key properties of [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate has a molecular weight of 310.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate is sourced from PubChem (CID 11182171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).