[(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane

C28H52O6SSi2 — CID 54218465

IUPAC[(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCOC(OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)C(=CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H52O6SSi2/c1-21(22(2)25(26(31-9)32-10)34-37(13,14)28(6,7)8)24(33-36(11,12)27(3,4)5)20-35(29,30)23-18-16-15-17-19-23/h15-22,25-26H,1-14H3/t21-,22-,25-/m1/s1
InChIKeyQAVFULUEQXONBU-TZBSWOFLSA-N
MW572.96 g/mol
LogP7.61
Rot. Bonds12

About [(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 54218465) has the molecular formula C28H52O6SSi2 and a molecular weight of 572.96 g/mol. Its IUPAC name is [(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID54218465
Molecular FormulaC28H52O6SSi2
Molecular Weight572.96 g/mol
Exact Mass572.30
IUPAC Name[(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCOC(OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)C(=CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H52O6SSi2/c1-21(22(2)25(26(31-9)32-10)34-37(13,14)28(6,7)8)24(33-36(11,12)27(3,4)5)20-35(29,30)23-18-16-15-17-19-23/h15-22,25-26H,1-14H3/t21-,22-,25-/m1/s1
InChIKeyQAVFULUEQXONBU-TZBSWOFLSA-N
XLogP7.61
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.96
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 [(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane (CID 54218465) is [(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane is COC(OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)C(=CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QAVFULUEQXONBU-TZBSWOFLSA-N. The full InChI is InChI=1S/C28H52O6SSi2/c1-21(22(2)25(26(31-9)32-10)34-37(13,14)28(6,7)8)24(33-36(11,12)27(3,4)5)20-35(29,30)23-18-16-15-17-19-23/h15-22,25-26H,1-14H3/t21-,22-,25-/m1/s1.
What are the key properties of [(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 572.96 g/mol, XLogP of 7.61, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-6-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,4-dimethylhex-5-en-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 54218465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).