dodec-9-ynoxy-diethyl-octoxysilane

C24H48O2Si — CID 91737544

IUPACdodec-9-ynoxy-diethyl-octoxysilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCC
InChIInChI=1S/C24H48O2Si/c1-5-9-11-13-15-16-17-18-20-22-24-26-27(7-3,8-4)25-23-21-19-14-12-10-6-2/h5-8,10,12-24H2,1-4H3
InChIKeyBDRIXRQQIKYVMT-UHFFFAOYSA-N
MW396.73 g/mol
LogP8.01
Rot. Bonds19

About dodec-9-ynoxy-diethyl-octoxysilane

dodec-9-ynoxy-diethyl-octoxysilane (PubChem CID 91737544) has the molecular formula C24H48O2Si and a molecular weight of 396.73 g/mol. Its IUPAC name is dodec-9-ynoxy-diethyl-octoxysilane.

Molecular Properties

Compound Namedodec-9-ynoxy-diethyl-octoxysilane
PubChem CID91737544
Molecular FormulaC24H48O2Si
Molecular Weight396.73 g/mol
Exact Mass396.34
IUPAC Namedodec-9-ynoxy-diethyl-octoxysilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCC
InChIInChI=1S/C24H48O2Si/c1-5-9-11-13-15-16-17-18-20-22-24-26-27(7-3,8-4)25-23-21-19-14-12-10-6-2/h5-8,10,12-24H2,1-4H3
InChIKeyBDRIXRQQIKYVMT-UHFFFAOYSA-N
XLogP8.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 58.01
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-octoxysilane?
The IUPAC name of dodec-9-ynoxy-diethyl-octoxysilane (CID 91737544) is dodec-9-ynoxy-diethyl-octoxysilane.
What is the SMILES notation for dodec-9-ynoxy-diethyl-octoxysilane?
The canonical SMILES for dodec-9-ynoxy-diethyl-octoxysilane is CCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCC.
What is the InChIKey of dodec-9-ynoxy-diethyl-octoxysilane?
The InChIKey is BDRIXRQQIKYVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2Si/c1-5-9-11-13-15-16-17-18-20-22-24-26-27(7-3,8-4)25-23-21-19-14-12-10-6-2/h5-8,10,12-24H2,1-4H3.
What are the key properties of dodec-9-ynoxy-diethyl-octoxysilane?
dodec-9-ynoxy-diethyl-octoxysilane has a molecular weight of 396.73 g/mol, XLogP of 8.01, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-diethyl-octoxysilane is sourced from PubChem (CID 91737544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).