[(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate

C23H44O4Si2 — CID 101143423

IUPAC[(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESC=C(C[C@H]1O[C@H](COC(C)=O)C=C[C@H]1O[Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C23H44O4Si2/c1-9-28(10-2,11-3)19(7)17-23-22(27-29(12-4,13-5)14-6)16-15-21(26-23)18-25-20(8)24/h15-16,21-23H,7,9-14,17-18H2,1-6,8H3/t21-,22+,23+/m0/s1
InChIKeyCPHHQQHHWZZBJR-YTFSRNRJSA-N
MW440.77 g/mol
LogP6.26
Rot. Bonds13

About [(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate

[(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate (PubChem CID 101143423) has the molecular formula C23H44O4Si2 and a molecular weight of 440.77 g/mol. Its IUPAC name is [(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
PubChem CID101143423
Molecular FormulaC23H44O4Si2
Molecular Weight440.77 g/mol
Exact Mass440.28
IUPAC Name[(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESC=C(C[C@H]1O[C@H](COC(C)=O)C=C[C@H]1O[Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C23H44O4Si2/c1-9-28(10-2,11-3)19(7)17-23-22(27-29(12-4,13-5)14-6)16-15-21(26-23)18-25-20(8)24/h15-16,21-23H,7,9-14,17-18H2,1-6,8H3/t21-,22+,23+/m0/s1
InChIKeyCPHHQQHHWZZBJR-YTFSRNRJSA-N
XLogP6.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.77
LogP ≤ 56.26
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'}

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Related Compounds

[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
[(2R,3S,6S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10892295
[(2R,3S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 6917455
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
(1S,6Z,8R,10S,12Z)-10-[tri(propan-2-yl)silyloxymethyl]-2,9-dioxabicyclo[6.6.0]tetradeca-6,12-dien-3-one
CID 11112024
[(2R,3S,6S)-3-acetyloxy-6-[3-tri(propan-2-yl)silylprop-1-ynyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11350347
ethyl (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enoate
CID 11825882
[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate
CID 14737941
[(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate
CID 15942571
[(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate
CID 91998784
[(2R,3R,6S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 100964182

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The IUPAC name of [(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate (CID 101143423) is [(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The canonical SMILES for [(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate is C=C(C[C@H]1O[C@H](COC(C)=O)C=C[C@H]1O[Si](CC)(CC)CC)[Si](CC)(CC)CC.
What is the InChIKey of [(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The InChIKey is CPHHQQHHWZZBJR-YTFSRNRJSA-N. The full InChI is InChI=1S/C23H44O4Si2/c1-9-28(10-2,11-3)19(7)17-23-22(27-29(12-4,13-5)14-6)16-15-21(26-23)18-25-20(8)24/h15-16,21-23H,7,9-14,17-18H2,1-6,8H3/t21-,22+,23+/m0/s1.
What are the key properties of [(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
[(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate has a molecular weight of 440.77 g/mol, XLogP of 6.26, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate is sourced from PubChem (CID 101143423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).