[(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane

C38H44O2Si — CID 122383866

IUPAC[(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESCc1cc(C)cc([C@@H]2C=C[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H]2c2cc(C)cc(C)c2)c1
InChIInChI=1S/C38H44O2Si/c1-27-20-28(2)23-31(22-27)36-19-18-33(40-37(36)32-24-29(3)21-30(4)25-32)26-39-41(38(5,6)7,34-14-10-8-11-15-34)35-16-12-9-13-17-35/h8-25,33,36-37H,26H2,1-7H3/t33-,36-,37-/m0/s1
InChIKeyUWRIJGWJZAUHKX-WOFUPGFCSA-N
MW560.85 g/mol
LogP8.28
Rot. Bonds7

About [(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane

[(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 122383866) has the molecular formula C38H44O2Si and a molecular weight of 560.85 g/mol. Its IUPAC name is [(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID122383866
Molecular FormulaC38H44O2Si
Molecular Weight560.85 g/mol
Exact Mass560.31
IUPAC Name[(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESCc1cc(C)cc([C@@H]2C=C[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H]2c2cc(C)cc(C)c2)c1
InChIInChI=1S/C38H44O2Si/c1-27-20-28(2)23-31(22-27)36-19-18-33(40-37(36)32-24-29(3)21-30(4)25-32)26-39-41(38(5,6)7,34-14-10-8-11-15-34)35-16-12-9-13-17-35/h8-25,33,36-37H,26H2,1-7H3/t33-,36-,37-/m0/s1
InChIKeyUWRIJGWJZAUHKX-WOFUPGFCSA-N
XLogP8.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.85
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 46854165
(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
(3R,6S)-2-[1-(benzenesulfonyl)but-3-yn-2-yl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 101038658
tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane
CID 10863309
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
(5S,6R)-5,6-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
CID 23635439
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane (CID 122383866) is [(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane is Cc1cc(C)cc([C@@H]2C=C[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H]2c2cc(C)cc(C)c2)c1.
What is the InChIKey of [(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is UWRIJGWJZAUHKX-WOFUPGFCSA-N. The full InChI is InChI=1S/C38H44O2Si/c1-27-20-28(2)23-31(22-27)36-19-18-33(40-37(36)32-24-29(3)21-30(4)25-32)26-39-41(38(5,6)7,34-14-10-8-11-15-34)35-16-12-9-13-17-35/h8-25,33,36-37H,26H2,1-7H3/t33-,36-,37-/m0/s1.
What are the key properties of [(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane?
[(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 560.85 g/mol, XLogP of 8.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 122383866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).