tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

C26H46O5Si2 — CID 10051450

IUPACtert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
SMILESCOCOc1ccc(C2=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)cc1
InChIInChI=1S/C26H46O5Si2/c1-19-24(31-33(11,12)26(5,6)7)23(30-32(9,10)25(2,3)4)17-22(29-19)20-13-15-21(16-14-20)28-18-27-8/h13-17,19,23-24H,18H2,1-12H3/t19-,23-,24-/m0/s1
InChIKeyFPDISFYGDVYEAG-IGKWTDBASA-N
MW494.82 g/mol
LogP7.21
Rot. Bonds8

About tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (PubChem CID 10051450) has the molecular formula C26H46O5Si2 and a molecular weight of 494.82 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
PubChem CID10051450
Molecular FormulaC26H46O5Si2
Molecular Weight494.82 g/mol
Exact Mass494.29
IUPAC Nametert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
SMILESCOCOc1ccc(C2=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)cc1
InChIInChI=1S/C26H46O5Si2/c1-19-24(31-33(11,12)26(5,6)7)23(30-32(9,10)25(2,3)4)17-22(29-19)20-13-15-21(16-14-20)28-18-27-8/h13-17,19,23-24H,18H2,1-12H3/t19-,23-,24-/m0/s1
InChIKeyFPDISFYGDVYEAG-IGKWTDBASA-N
XLogP7.21
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.82
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (CID 10051450) is tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is COCOc1ccc(C2=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)cc1.
What is the InChIKey of tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The InChIKey is FPDISFYGDVYEAG-IGKWTDBASA-N. The full InChI is InChI=1S/C26H46O5Si2/c1-19-24(31-33(11,12)26(5,6)7)23(30-32(9,10)25(2,3)4)17-22(29-19)20-13-15-21(16-14-20)28-18-27-8/h13-17,19,23-24H,18H2,1-12H3/t19-,23-,24-/m0/s1.
What are the key properties of tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane has a molecular weight of 494.82 g/mol, XLogP of 7.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[4-(methoxymethoxy)phenyl]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10051450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).