decoxy-dodec-9-ynoxy-diphenylsilane

C34H52O2Si — CID 91732628

IUPACdecoxy-dodec-9-ynoxy-diphenylsilane
SMILESCCC#CCCCCCCCCO[Si](OCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H52O2Si/c1-3-5-7-9-11-13-14-16-18-26-32-36-37(33-27-21-19-22-28-33,34-29-23-20-24-30-34)35-31-25-17-15-12-10-8-6-4-2/h19-24,27-30H,3-4,6,8-18,25-26,31-32H2,1-2H3
InChIKeyNJEXGSUUCFQMEX-UHFFFAOYSA-N
MW520.87 g/mol
LogP8.56
Rot. Bonds21

About decoxy-dodec-9-ynoxy-diphenylsilane

decoxy-dodec-9-ynoxy-diphenylsilane (PubChem CID 91732628) has the molecular formula C34H52O2Si and a molecular weight of 520.87 g/mol. Its IUPAC name is decoxy-dodec-9-ynoxy-diphenylsilane.

Molecular Properties

Compound Namedecoxy-dodec-9-ynoxy-diphenylsilane
PubChem CID91732628
Molecular FormulaC34H52O2Si
Molecular Weight520.87 g/mol
Exact Mass520.37
IUPAC Namedecoxy-dodec-9-ynoxy-diphenylsilane
SMILESCCC#CCCCCCCCCO[Si](OCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H52O2Si/c1-3-5-7-9-11-13-14-16-18-26-32-36-37(33-27-21-19-22-28-33,34-29-23-20-24-30-34)35-31-25-17-15-12-10-8-6-4-2/h19-24,27-30H,3-4,6,8-18,25-26,31-32H2,1-2H3
InChIKeyNJEXGSUUCFQMEX-UHFFFAOYSA-N
XLogP8.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.87
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decoxy-dodec-9-ynoxy-diphenylsilane?
The IUPAC name of decoxy-dodec-9-ynoxy-diphenylsilane (CID 91732628) is decoxy-dodec-9-ynoxy-diphenylsilane.
What is the SMILES notation for decoxy-dodec-9-ynoxy-diphenylsilane?
The canonical SMILES for decoxy-dodec-9-ynoxy-diphenylsilane is CCC#CCCCCCCCCO[Si](OCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of decoxy-dodec-9-ynoxy-diphenylsilane?
The InChIKey is NJEXGSUUCFQMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52O2Si/c1-3-5-7-9-11-13-14-16-18-26-32-36-37(33-27-21-19-22-28-33,34-29-23-20-24-30-34)35-31-25-17-15-12-10-8-6-4-2/h19-24,27-30H,3-4,6,8-18,25-26,31-32H2,1-2H3.
What are the key properties of decoxy-dodec-9-ynoxy-diphenylsilane?
decoxy-dodec-9-ynoxy-diphenylsilane has a molecular weight of 520.87 g/mol, XLogP of 8.56, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-dodec-9-ynoxy-diphenylsilane is sourced from PubChem (CID 91732628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).