[(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane

C48H102O4Si3 — CID 11366388

IUPAC[(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H](CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C48H102O4Si3/c1-17-18-19-20-21-22-25-28-31-34-37-44(51-54(13,14)47(5,6)7)42-39-40-43(50-42)45(52-55(15,16)48(8,9)10)38-35-32-29-26-23-24-27-30-33-36-41-49-53(11,12)46(2,3)4/h42-45H,17-41H2,1-16H3/t42-,43-,44-,45+/m1/s1
InChIKeyHJMFRJHMPBYACZ-GBYUNDSOSA-N
MW827.60 g/mol
LogP16.94
Rot. Bonds31

About [(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane

[(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane (PubChem CID 11366388) has the molecular formula C48H102O4Si3 and a molecular weight of 827.60 g/mol. Its IUPAC name is [(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane
PubChem CID11366388
Molecular FormulaC48H102O4Si3
Molecular Weight827.60 g/mol
Exact Mass826.71
IUPAC Name[(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H](CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C48H102O4Si3/c1-17-18-19-20-21-22-25-28-31-34-37-44(51-54(13,14)47(5,6)7)42-39-40-43(50-42)45(52-55(15,16)48(8,9)10)38-35-32-29-26-23-24-27-30-33-36-41-49-53(11,12)46(2,3)4/h42-45H,17-41H2,1-16H3/t42-,43-,44-,45+/m1/s1
InChIKeyHJMFRJHMPBYACZ-GBYUNDSOSA-N
XLogP16.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds31
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.60
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 [(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane (CID 11366388) is [(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane is CCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H](CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane?
The InChIKey is HJMFRJHMPBYACZ-GBYUNDSOSA-N. The full InChI is InChI=1S/C48H102O4Si3/c1-17-18-19-20-21-22-25-28-31-34-37-44(51-54(13,14)47(5,6)7)42-39-40-43(50-42)45(52-55(15,16)48(8,9)10)38-35-32-29-26-23-24-27-30-33-36-41-49-53(11,12)46(2,3)4/h42-45H,17-41H2,1-16H3/t42-,43-,44-,45+/m1/s1.
What are the key properties of [(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane?
[(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane has a molecular weight of 827.60 g/mol, XLogP of 16.94, 31 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2R,5R)-5-[(1S)-1,13-bis[[tert-butyl(dimethyl)silyl]oxy]tridecyl]oxolan-2-yl]tridecoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11366388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).