dodec-9-ynoxy-nonoxy-diphenylsilane

C33H50O2Si — CID 91732624

IUPACdodec-9-ynoxy-nonoxy-diphenylsilane
SMILESCCC#CCCCCCCCCO[Si](OCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H50O2Si/c1-3-5-7-9-11-12-13-15-17-25-31-35-36(32-26-20-18-21-27-32,33-28-22-19-23-29-33)34-30-24-16-14-10-8-6-4-2/h18-23,26-29H,3-4,6,8-17,24-25,30-31H2,1-2H3
InChIKeyZJJREFIXOZSEQO-UHFFFAOYSA-N
MW506.85 g/mol
LogP8.17
Rot. Bonds20

About dodec-9-ynoxy-nonoxy-diphenylsilane

dodec-9-ynoxy-nonoxy-diphenylsilane (PubChem CID 91732624) has the molecular formula C33H50O2Si and a molecular weight of 506.85 g/mol. Its IUPAC name is dodec-9-ynoxy-nonoxy-diphenylsilane.

Molecular Properties

Compound Namedodec-9-ynoxy-nonoxy-diphenylsilane
PubChem CID91732624
Molecular FormulaC33H50O2Si
Molecular Weight506.85 g/mol
Exact Mass506.36
IUPAC Namedodec-9-ynoxy-nonoxy-diphenylsilane
SMILESCCC#CCCCCCCCCO[Si](OCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H50O2Si/c1-3-5-7-9-11-12-13-15-17-25-31-35-36(32-26-20-18-21-27-32,33-28-22-19-23-29-33)34-30-24-16-14-10-8-6-4-2/h18-23,26-29H,3-4,6,8-17,24-25,30-31H2,1-2H3
InChIKeyZJJREFIXOZSEQO-UHFFFAOYSA-N
XLogP8.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.85
LogP ≤ 58.17
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-nonoxy-diphenylsilane?
The IUPAC name of dodec-9-ynoxy-nonoxy-diphenylsilane (CID 91732624) is dodec-9-ynoxy-nonoxy-diphenylsilane.
What is the SMILES notation for dodec-9-ynoxy-nonoxy-diphenylsilane?
The canonical SMILES for dodec-9-ynoxy-nonoxy-diphenylsilane is CCC#CCCCCCCCCO[Si](OCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of dodec-9-ynoxy-nonoxy-diphenylsilane?
The InChIKey is ZJJREFIXOZSEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50O2Si/c1-3-5-7-9-11-12-13-15-17-25-31-35-36(32-26-20-18-21-27-32,33-28-22-19-23-29-33)34-30-24-16-14-10-8-6-4-2/h18-23,26-29H,3-4,6,8-17,24-25,30-31H2,1-2H3.
What are the key properties of dodec-9-ynoxy-nonoxy-diphenylsilane?
dodec-9-ynoxy-nonoxy-diphenylsilane has a molecular weight of 506.85 g/mol, XLogP of 8.17, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-nonoxy-diphenylsilane is sourced from PubChem (CID 91732624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).