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

C29H38O4Si2 — CID 11730884

IUPAC[(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)O1
InChIInChI=1S/C29H38O4Si2/c1-23(30)31-22-24-18-19-28(27(32-24)20-21-34(5,6)7)33-35(29(2,3)4,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-19,24,27-28H,22H2,1-7H3/t24-,27+,28+/m0/s1
InChIKeyIZVLGIMJJQJKMM-HNPKZYAISA-N
MW506.79 g/mol
LogP4.70
Rot. Bonds6

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

[(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate (PubChem CID 11730884) has the molecular formula C29H38O4Si2 and a molecular weight of 506.79 g/mol. Its IUPAC name is [(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
PubChem CID11730884
Molecular FormulaC29H38O4Si2
Molecular Weight506.79 g/mol
Exact Mass506.23
IUPAC Name[(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)O1
InChIInChI=1S/C29H38O4Si2/c1-23(30)31-22-24-18-19-28(27(32-24)20-21-34(5,6)7)33-35(29(2,3)4,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-19,24,27-28H,22H2,1-7H3/t24-,27+,28+/m0/s1
InChIKeyIZVLGIMJJQJKMM-HNPKZYAISA-N
XLogP4.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.79
LogP ≤ 54.70
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'}

Analyze [(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl 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

tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
tert-butyl-diphenyl-[[(2S,3R,6S)-6-phenylmethoxy-2-(2-trimethylsilylethynyl)-2,3,6,7-tetrahydrooxepin-3-yl]oxy]silane
CID 10907791
[(2R,3S,6S)-3-acetyloxy-6-[4-[tert-butyl(diphenyl)silyl]oxybut-1-ynyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101256997
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-amino-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 50937055
[(1R,2S,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-formylcyclobutyl]methyl acetate
CID 23255964
tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
CID 23240933
tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 46854165
[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-(4-fluorophenyl)sulfanylthiolan-2-yl]methyl acetate
CID 153333214
2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate
CID 10939389
tert-butyl-diphenyl-[[(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methoxy]silane
CID 11592982
[(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane
CID 122383866
[(1S)-1-[(2R,3S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]buta-2,3-dienyl] acetate
CID 10480830

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The IUPAC name of [(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate (CID 11730884) is [(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The canonical SMILES for [(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate is CC(=O)OC[C@@H]1C=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)O1.
What is the InChIKey of [(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The InChIKey is IZVLGIMJJQJKMM-HNPKZYAISA-N. The full InChI is InChI=1S/C29H38O4Si2/c1-23(30)31-22-24-18-19-28(27(32-24)20-21-34(5,6)7)33-35(29(2,3)4,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-19,24,27-28H,22H2,1-7H3/t24-,27+,28+/m0/s1.
What are the key properties of [(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
[(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate has a molecular weight of 506.79 g/mol, XLogP of 4.70, 6 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(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate is sourced from PubChem (CID 11730884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).