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

C29H55NO5SSi2 — CID 59280291

IUPAC4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-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([C@@H](C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C29H55NO5SSi2/c1-23(2)30(26(16-14-15-21-31)22-34-37(10,11)28(4,5)6)36(32,33)27-19-17-25(18-20-27)24(3)35-38(12,13)29(7,8)9/h17-21,23-24,26H,14-16,22H2,1-13H3/t24-,26+/m1/s1
InChIKeyMTCAJEQXKBNOBE-RSXGOPAZSA-N
MW586.00 g/mol
LogP7.93
Rot. Bonds14

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

4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 59280291) has the molecular formula C29H55NO5SSi2 and a molecular weight of 586.00 g/mol. Its IUPAC name is 4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide
PubChem CID59280291
Molecular FormulaC29H55NO5SSi2
Molecular Weight586.00 g/mol
Exact Mass585.33
IUPAC Name4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-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([C@@H](C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C29H55NO5SSi2/c1-23(2)30(26(16-14-15-21-31)22-34-37(10,11)28(4,5)6)36(32,33)27-19-17-25(18-20-27)24(3)35-38(12,13)29(7,8)9/h17-21,23-24,26H,14-16,22H2,1-13H3/t24-,26+/m1/s1
InChIKeyMTCAJEQXKBNOBE-RSXGOPAZSA-N
XLogP7.93
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.00
LogP ≤ 57.93
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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Related Compounds

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide
CID 59280346
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569
(5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 11021146
4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohex-4-en-2-yl]-N-propan-2-ylbenzenesulfonamide
CID 140548501
4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11420340
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(Z,4R)-13-cyanotridec-9-en-4-yl]-4-methylbenzenesulfonamide
CID 11191854
7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal
CID 11388220
(4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-diazopentan-2-one
CID 135406577
3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
CID 101239528

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide (CID 59280291) is 4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-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([C@@H](C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is MTCAJEQXKBNOBE-RSXGOPAZSA-N. The full InChI is InChI=1S/C29H55NO5SSi2/c1-23(2)30(26(16-14-15-21-31)22-34-37(10,11)28(4,5)6)36(32,33)27-19-17-25(18-20-27)24(3)35-38(12,13)29(7,8)9/h17-21,23-24,26H,14-16,22H2,1-13H3/t24-,26+/m1/s1.
What are the key properties of 4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide?
4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 586.00 g/mol, XLogP of 7.93, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 59280291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).