dodec-9-ynoxy-octoxy-diphenylsilane

C32H48O2Si — CID 91732618

IUPACdodec-9-ynoxy-octoxy-diphenylsilane
SMILESCCC#CCCCCCCCCO[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H48O2Si/c1-3-5-7-9-11-12-13-14-16-24-30-34-35(31-25-19-17-20-26-31,32-27-21-18-22-28-32)33-29-23-15-10-8-6-4-2/h17-22,25-28H,3-4,6,8-16,23-24,29-30H2,1-2H3
InChIKeyFUVCKCGZFMKVNP-UHFFFAOYSA-N
MW492.82 g/mol
LogP7.78
Rot. Bonds19

About dodec-9-ynoxy-octoxy-diphenylsilane

dodec-9-ynoxy-octoxy-diphenylsilane (PubChem CID 91732618) has the molecular formula C32H48O2Si and a molecular weight of 492.82 g/mol. Its IUPAC name is dodec-9-ynoxy-octoxy-diphenylsilane.

Molecular Properties

Compound Namedodec-9-ynoxy-octoxy-diphenylsilane
PubChem CID91732618
Molecular FormulaC32H48O2Si
Molecular Weight492.82 g/mol
Exact Mass492.34
IUPAC Namedodec-9-ynoxy-octoxy-diphenylsilane
SMILESCCC#CCCCCCCCCO[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H48O2Si/c1-3-5-7-9-11-12-13-14-16-24-30-34-35(31-25-19-17-20-26-31,32-27-21-18-22-28-32)33-29-23-15-10-8-6-4-2/h17-22,25-28H,3-4,6,8-16,23-24,29-30H2,1-2H3
InChIKeyFUVCKCGZFMKVNP-UHFFFAOYSA-N
XLogP7.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.82
LogP ≤ 57.78
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 dodec-9-ynoxy-octoxy-diphenylsilane?
The IUPAC name of dodec-9-ynoxy-octoxy-diphenylsilane (CID 91732618) is dodec-9-ynoxy-octoxy-diphenylsilane.
What is the SMILES notation for dodec-9-ynoxy-octoxy-diphenylsilane?
The canonical SMILES for dodec-9-ynoxy-octoxy-diphenylsilane is CCC#CCCCCCCCCO[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of dodec-9-ynoxy-octoxy-diphenylsilane?
The InChIKey is FUVCKCGZFMKVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48O2Si/c1-3-5-7-9-11-12-13-14-16-24-30-34-35(31-25-19-17-20-26-31,32-27-21-18-22-28-32)33-29-23-15-10-8-6-4-2/h17-22,25-28H,3-4,6,8-16,23-24,29-30H2,1-2H3.
What are the key properties of dodec-9-ynoxy-octoxy-diphenylsilane?
dodec-9-ynoxy-octoxy-diphenylsilane has a molecular weight of 492.82 g/mol, XLogP of 7.78, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-octoxy-diphenylsilane is sourced from PubChem (CID 91732618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).