4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide

C28H53NO5SSi2 — CID 59280346

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N([C@@H](CCCC=O)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C28H53NO5SSi2/c1-23(2)29(25(15-13-14-20-30)22-34-37(11,12)28(6,7)8)35(31,32)26-18-16-24(17-19-26)21-33-36(9,10)27(3,4)5/h16-20,23,25H,13-15,21-22H2,1-12H3/t25-/m0/s1
InChIKeyLGWXDNJELCEMMQ-VWLOTQADSA-N
MW571.97 g/mol
LogP7.37
Rot. Bonds14

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 59280346) has the molecular formula C28H53NO5SSi2 and a molecular weight of 571.97 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide
PubChem CID59280346
Molecular FormulaC28H53NO5SSi2
Molecular Weight571.97 g/mol
Exact Mass571.32
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N([C@@H](CCCC=O)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C28H53NO5SSi2/c1-23(2)29(25(15-13-14-20-30)22-34-37(11,12)28(6,7)8)35(31,32)26-18-16-24(17-19-26)21-33-36(9,10)27(3,4)5/h16-20,23,25H,13-15,21-22H2,1-12H3/t25-/m0/s1
InChIKeyLGWXDNJELCEMMQ-VWLOTQADSA-N
XLogP7.37
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.97
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide (CID 59280346) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide is CC(C)N([C@@H](CCCC=O)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LGWXDNJELCEMMQ-VWLOTQADSA-N. The full InChI is InChI=1S/C28H53NO5SSi2/c1-23(2)29(25(15-13-14-20-30)22-34-37(11,12)28(6,7)8)35(31,32)26-18-16-24(17-19-26)21-33-36(9,10)27(3,4)5/h16-20,23,25H,13-15,21-22H2,1-12H3/t25-/m0/s1.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 571.97 g/mol, XLogP of 7.37, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 59280346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).