dodec-9-ynoxy-diethyl-nonoxysilane

C25H50O2Si — CID 91737545

IUPACdodec-9-ynoxy-diethyl-nonoxysilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCC
InChIInChI=1S/C25H50O2Si/c1-5-9-11-13-15-16-17-19-21-23-25-27-28(7-3,8-4)26-24-22-20-18-14-12-10-6-2/h5-8,10,12-25H2,1-4H3
InChIKeyNAKFQLWPXDHHKG-UHFFFAOYSA-N
MW410.76 g/mol
LogP8.40
Rot. Bonds20

About dodec-9-ynoxy-diethyl-nonoxysilane

dodec-9-ynoxy-diethyl-nonoxysilane (PubChem CID 91737545) has the molecular formula C25H50O2Si and a molecular weight of 410.76 g/mol. Its IUPAC name is dodec-9-ynoxy-diethyl-nonoxysilane.

Molecular Properties

Compound Namedodec-9-ynoxy-diethyl-nonoxysilane
PubChem CID91737545
Molecular FormulaC25H50O2Si
Molecular Weight410.76 g/mol
Exact Mass410.36
IUPAC Namedodec-9-ynoxy-diethyl-nonoxysilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCC
InChIInChI=1S/C25H50O2Si/c1-5-9-11-13-15-16-17-19-21-23-25-27-28(7-3,8-4)26-24-22-20-18-14-12-10-6-2/h5-8,10,12-25H2,1-4H3
InChIKeyNAKFQLWPXDHHKG-UHFFFAOYSA-N
XLogP8.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.76
LogP ≤ 58.40
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

Stearoxytrimethylsilane
CID 87778
Silane, dimethylbis(octadecyloxy)-
CID 120117
(Hexadecyloxy)trimethylsilane
CID 22588
Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
1-Docosanol, TMS
CID 529830
(Eicosyloxy)trimethylsilane
CID 6431467
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
1-Trimethylsilyloxytetradecane
CID 522031
1-Triethylsilyloxydecane
CID 523468

Frequently Asked Questions

What is the IUPAC name of dodec-9-ynoxy-diethyl-nonoxysilane?
The IUPAC name of dodec-9-ynoxy-diethyl-nonoxysilane (CID 91737545) is dodec-9-ynoxy-diethyl-nonoxysilane.
What is the SMILES notation for dodec-9-ynoxy-diethyl-nonoxysilane?
The canonical SMILES for dodec-9-ynoxy-diethyl-nonoxysilane is CCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCC.
What is the InChIKey of dodec-9-ynoxy-diethyl-nonoxysilane?
The InChIKey is NAKFQLWPXDHHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2Si/c1-5-9-11-13-15-16-17-19-21-23-25-27-28(7-3,8-4)26-24-22-20-18-14-12-10-6-2/h5-8,10,12-25H2,1-4H3.
What are the key properties of dodec-9-ynoxy-diethyl-nonoxysilane?
dodec-9-ynoxy-diethyl-nonoxysilane has a molecular weight of 410.76 g/mol, XLogP of 8.40, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-diethyl-nonoxysilane is sourced from PubChem (CID 91737545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).