[(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane

C23H40O4SSi2 — CID 11442751

IUPAC[(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(S(=O)c2ccccc2)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O4SSi2/c1-22(2,3)29(7,8)26-19-16-21(28(24)18-14-12-11-13-15-18)25-17-20(19)27-30(9,10)23(4,5)6/h11-16,19-20H,17H2,1-10H3/t19-,20-,28?/m1/s1
InChIKeyDLNBLGFSXORBDS-OGGLPTEMSA-N
MW468.81 g/mol
LogP6.45
Rot. Bonds6

About [(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane

[(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11442751) has the molecular formula C23H40O4SSi2 and a molecular weight of 468.81 g/mol. Its IUPAC name is [(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11442751
Molecular FormulaC23H40O4SSi2
Molecular Weight468.81 g/mol
Exact Mass468.22
IUPAC Name[(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(S(=O)c2ccccc2)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O4SSi2/c1-22(2,3)29(7,8)26-19-16-21(28(24)18-14-12-11-13-15-18)25-17-20(19)27-30(9,10)23(4,5)6/h11-16,19-20H,17H2,1-10H3/t19-,20-,28?/m1/s1
InChIKeyDLNBLGFSXORBDS-OGGLPTEMSA-N
XLogP6.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane (CID 11442751) is [(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(S(=O)c2ccccc2)OC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is DLNBLGFSXORBDS-OGGLPTEMSA-N. The full InChI is InChI=1S/C23H40O4SSi2/c1-22(2,3)29(7,8)26-19-16-21(28(24)18-14-12-11-13-15-18)25-17-20(19)27-30(9,10)23(4,5)6/h11-16,19-20H,17H2,1-10H3/t19-,20-,28?/m1/s1.
What are the key properties of [(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
[(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 468.81 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-6-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11442751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).