tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane

C30H63NO2Si2 — CID 10506289

IUPACtert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane
SMILESCCCCCCCCC/C=C/C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)N1
InChIInChI=1S/C30H63NO2Si2/c1-12-13-14-15-16-17-18-19-20-21-22-26-23-24-28(33-35(10,11)30(5,6)7)27(31-26)25-32-34(8,9)29(2,3)4/h20-21,26-28,31H,12-19,22-25H2,1-11H3/b21-20+/t26-,27+,28-/m0/s1
InChIKeyFGZIIIROBYMOLU-JARCZVMWSA-N
MW526.01 g/mol
LogP9.61
Rot. Bonds15

About tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane (PubChem CID 10506289) has the molecular formula C30H63NO2Si2 and a molecular weight of 526.01 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane
PubChem CID10506289
Molecular FormulaC30H63NO2Si2
Molecular Weight526.01 g/mol
Exact Mass525.44
IUPAC Nametert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane
SMILESCCCCCCCCC/C=C/C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)N1
InChIInChI=1S/C30H63NO2Si2/c1-12-13-14-15-16-17-18-19-20-21-22-26-23-24-28(33-35(10,11)30(5,6)7)27(31-26)25-32-34(8,9)29(2,3)4/h20-21,26-28,31H,12-19,22-25H2,1-11H3/b21-20+/t26-,27+,28-/m0/s1
InChIKeyFGZIIIROBYMOLU-JARCZVMWSA-N
XLogP9.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.01
LogP ≤ 59.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane
CID 11000178
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CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
(E,1S)-1-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1-hydroxynonadec-4-en-3-one
CID 57409946
tert-butyl-[[(4S,5S)-5-[(E)-dec-1-enyl]-2,2-diphenyl-1,3-oxazolidin-4-yl]methoxy]-dimethylsilane
CID 11755975
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-oct-1-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 68733852
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane (CID 10506289) is tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane is CCCCCCCCC/C=C/C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)N1.
What is the InChIKey of tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane?
The InChIKey is FGZIIIROBYMOLU-JARCZVMWSA-N. The full InChI is InChI=1S/C30H63NO2Si2/c1-12-13-14-15-16-17-18-19-20-21-22-26-23-24-28(33-35(10,11)30(5,6)7)27(31-26)25-32-34(8,9)29(2,3)4/h20-21,26-28,31H,12-19,22-25H2,1-11H3/b21-20+/t26-,27+,28-/m0/s1.
What are the key properties of tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane has a molecular weight of 526.01 g/mol, XLogP of 9.61, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10506289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).