dodec-9-ynoxy-diphenyl-undecoxysilane

C35H54O2Si — CID 91732631

IUPACdodec-9-ynoxy-diphenyl-undecoxysilane
SMILESCCC#CCCCCCCCCO[Si](OCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H54O2Si/c1-3-5-7-9-11-13-15-17-19-27-33-37-38(34-28-22-20-23-29-34,35-30-24-21-25-31-35)36-32-26-18-16-14-12-10-8-6-4-2/h20-25,28-31H,3-4,6,8-19,26-27,32-33H2,1-2H3
InChIKeyJYIMRSFLXZUEAC-UHFFFAOYSA-N
MW534.90 g/mol
LogP8.95
Rot. Bonds22

About dodec-9-ynoxy-diphenyl-undecoxysilane

dodec-9-ynoxy-diphenyl-undecoxysilane (PubChem CID 91732631) has the molecular formula C35H54O2Si and a molecular weight of 534.90 g/mol. Its IUPAC name is dodec-9-ynoxy-diphenyl-undecoxysilane.

Molecular Properties

Compound Namedodec-9-ynoxy-diphenyl-undecoxysilane
PubChem CID91732631
Molecular FormulaC35H54O2Si
Molecular Weight534.90 g/mol
Exact Mass534.39
IUPAC Namedodec-9-ynoxy-diphenyl-undecoxysilane
SMILESCCC#CCCCCCCCCO[Si](OCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H54O2Si/c1-3-5-7-9-11-13-15-17-19-27-33-37-38(34-28-22-20-23-29-34,35-30-24-21-25-31-35)36-32-26-18-16-14-12-10-8-6-4-2/h20-25,28-31H,3-4,6,8-19,26-27,32-33H2,1-2H3
InChIKeyJYIMRSFLXZUEAC-UHFFFAOYSA-N
XLogP8.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.90
LogP ≤ 58.95
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-diphenyl-undecoxysilane?
The IUPAC name of dodec-9-ynoxy-diphenyl-undecoxysilane (CID 91732631) is dodec-9-ynoxy-diphenyl-undecoxysilane.
What is the SMILES notation for dodec-9-ynoxy-diphenyl-undecoxysilane?
The canonical SMILES for dodec-9-ynoxy-diphenyl-undecoxysilane is CCC#CCCCCCCCCO[Si](OCCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of dodec-9-ynoxy-diphenyl-undecoxysilane?
The InChIKey is JYIMRSFLXZUEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54O2Si/c1-3-5-7-9-11-13-15-17-19-27-33-37-38(34-28-22-20-23-29-34,35-30-24-21-25-31-35)36-32-26-18-16-14-12-10-8-6-4-2/h20-25,28-31H,3-4,6,8-19,26-27,32-33H2,1-2H3.
What are the key properties of dodec-9-ynoxy-diphenyl-undecoxysilane?
dodec-9-ynoxy-diphenyl-undecoxysilane has a molecular weight of 534.90 g/mol, XLogP of 8.95, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-diphenyl-undecoxysilane is sourced from PubChem (CID 91732631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).