bis(dodec-9-ynoxy)-diphenylsilane

C36H52O2Si — CID 91732606

IUPACbis(dodec-9-ynoxy)-diphenylsilane
SMILESCCC#CCCCCCCCCO[Si](OCCCCCCCCC#CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H52O2Si/c1-3-5-7-9-11-13-15-17-19-27-33-37-39(35-29-23-21-24-30-35,36-31-25-22-26-32-36)38-34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-4,9-20,27-28,33-34H2,1-2H3
InChIKeyKPXBDUWDRDJTSY-UHFFFAOYSA-N
MW544.90 g/mol
LogP8.56
Rot. Bonds20

About bis(dodec-9-ynoxy)-diphenylsilane

bis(dodec-9-ynoxy)-diphenylsilane (PubChem CID 91732606) has the molecular formula C36H52O2Si and a molecular weight of 544.90 g/mol. Its IUPAC name is bis(dodec-9-ynoxy)-diphenylsilane.

Molecular Properties

Compound Namebis(dodec-9-ynoxy)-diphenylsilane
PubChem CID91732606
Molecular FormulaC36H52O2Si
Molecular Weight544.90 g/mol
Exact Mass544.37
IUPAC Namebis(dodec-9-ynoxy)-diphenylsilane
SMILESCCC#CCCCCCCCCO[Si](OCCCCCCCCC#CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H52O2Si/c1-3-5-7-9-11-13-15-17-19-27-33-37-39(35-29-23-21-24-30-35,36-31-25-22-26-32-36)38-34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-4,9-20,27-28,33-34H2,1-2H3
InChIKeyKPXBDUWDRDJTSY-UHFFFAOYSA-N
XLogP8.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.90
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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Related Compounds

tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
bis(8-chlorooctoxy)-diphenylsilane
CID 91694774
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279
butoxy-(2-fluoroethoxy)-diphenylsilane
CID 91717515
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735

Frequently Asked Questions

What is the IUPAC name of bis(dodec-9-ynoxy)-diphenylsilane?
The IUPAC name of bis(dodec-9-ynoxy)-diphenylsilane (CID 91732606) is bis(dodec-9-ynoxy)-diphenylsilane.
What is the SMILES notation for bis(dodec-9-ynoxy)-diphenylsilane?
The canonical SMILES for bis(dodec-9-ynoxy)-diphenylsilane is CCC#CCCCCCCCCO[Si](OCCCCCCCCC#CCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(dodec-9-ynoxy)-diphenylsilane?
The InChIKey is KPXBDUWDRDJTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H52O2Si/c1-3-5-7-9-11-13-15-17-19-27-33-37-39(35-29-23-21-24-30-35,36-31-25-22-26-32-36)38-34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-4,9-20,27-28,33-34H2,1-2H3.
What are the key properties of bis(dodec-9-ynoxy)-diphenylsilane?
bis(dodec-9-ynoxy)-diphenylsilane has a molecular weight of 544.90 g/mol, XLogP of 8.56, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dodec-9-ynoxy)-diphenylsilane is sourced from PubChem (CID 91732606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).