(4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide

C36H61NO5SSi2 — CID 10963458

IUPAC(4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide
SMILESCCCC[C@](CCC(=O)N(C)OC)(OCSC)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H61NO5SSi2/c1-13-14-26-36(40-29-43-10,27-25-33(38)37(8)39-9)32(28-41-44(11,12)34(2,3)4)42-45(35(5,6)7,30-21-17-15-18-22-30)31-23-19-16-20-24-31/h15-24,32H,13-14,25-29H2,1-12H3/t32-,36+/m0/s1
InChIKeySKTPCEHHOUIQQV-LBHUVFDKSA-N
MW676.13 g/mol
LogP8.02
Rot. Bonds18

About (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide

(4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide (PubChem CID 10963458) has the molecular formula C36H61NO5SSi2 and a molecular weight of 676.13 g/mol. Its IUPAC name is (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide.

Molecular Properties

Compound Name(4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide
PubChem CID10963458
Molecular FormulaC36H61NO5SSi2
Molecular Weight676.13 g/mol
Exact Mass675.38
IUPAC Name(4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide
SMILESCCCC[C@](CCC(=O)N(C)OC)(OCSC)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H61NO5SSi2/c1-13-14-26-36(40-29-43-10,27-25-33(38)37(8)39-9)32(28-41-44(11,12)34(2,3)4)42-45(35(5,6)7,30-21-17-15-18-22-30)31-23-19-16-20-24-31/h15-24,32H,13-14,25-29H2,1-12H3/t32-,36+/m0/s1
InChIKeySKTPCEHHOUIQQV-LBHUVFDKSA-N
XLogP8.02
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.13
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide?
The IUPAC name of (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide (CID 10963458) is (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide.
What is the SMILES notation for (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide?
The canonical SMILES for (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide is CCCC[C@](CCC(=O)N(C)OC)(OCSC)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide?
The InChIKey is SKTPCEHHOUIQQV-LBHUVFDKSA-N. The full InChI is InChI=1S/C36H61NO5SSi2/c1-13-14-26-36(40-29-43-10,27-25-33(38)37(8)39-9)32(28-41-44(11,12)34(2,3)4)42-45(35(5,6)7,30-21-17-15-18-22-30)31-23-19-16-20-24-31/h15-24,32H,13-14,25-29H2,1-12H3/t32-,36+/m0/s1.
What are the key properties of (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide?
(4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide has a molecular weight of 676.13 g/mol, XLogP of 8.02, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methoxy-N-methyl-4-(methylsulfanylmethoxy)octanamide is sourced from PubChem (CID 10963458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).