[(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium

C24H53O3Si2+ — CID 134842332

IUPAC[(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([OH2+])CCCCCCC
InChIInChI=1S/C24H52O3Si2/c1-13-15-16-17-18-19-20(25)22(27-29(11,12)24(6,7)8)21(14-2)26-28(9,10)23(3,4)5/h14,20-22,25H,2,13,15-19H2,1,3-12H3/p+1/t20-,21+,22-/m1/s1
InChIKeyFCQPGUJDYBKSEX-BHIFYINESA-O
MW445.86 g/mol
LogP7.41
Rot. Bonds13

About [(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium

[(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium (PubChem CID 134842332) has the molecular formula C24H53O3Si2+ and a molecular weight of 445.86 g/mol. Its IUPAC name is [(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium.

Molecular Properties

Compound Name[(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium
PubChem CID134842332
Molecular FormulaC24H53O3Si2+
Molecular Weight445.86 g/mol
Exact Mass445.35
IUPAC Name[(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([OH2+])CCCCCCC
InChIInChI=1S/C24H52O3Si2/c1-13-15-16-17-18-19-20(25)22(27-29(11,12)24(6,7)8)21(14-2)26-28(9,10)23(3,4)5/h14,20-22,25H,2,13,15-19H2,1,3-12H3/p+1/t20-,21+,22-/m1/s1
InChIKeyFCQPGUJDYBKSEX-BHIFYINESA-O
XLogP7.41
TPSA41.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.86
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium?
The IUPAC name of [(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium (CID 134842332) is [(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium.
What is the SMILES notation for [(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium?
The canonical SMILES for [(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([OH2+])CCCCCCC.
What is the InChIKey of [(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium?
The InChIKey is FCQPGUJDYBKSEX-BHIFYINESA-O. The full InChI is InChI=1S/C24H52O3Si2/c1-13-15-16-17-18-19-20(25)22(27-29(11,12)24(6,7)8)21(14-2)26-28(9,10)23(3,4)5/h14,20-22,25H,2,13,15-19H2,1,3-12H3/p+1/t20-,21+,22-/m1/s1.
What are the key properties of [(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium?
[(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium has a molecular weight of 445.86 g/mol, XLogP of 7.41, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium is sourced from PubChem (CID 134842332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).