bis(dodec-9-ynoxy)-diethylsilane

C28H52O2Si — CID 91737548

IUPACbis(dodec-9-ynoxy)-diethylsilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCC#CCC
InChIInChI=1S/C28H52O2Si/c1-5-9-11-13-15-17-19-21-23-25-27-29-31(7-3,8-4)30-28-26-24-22-20-18-16-14-12-10-6-2/h5-8,13-28H2,1-4H3
InChIKeyRODNTRHKSIKEQI-UHFFFAOYSA-N
MW448.81 g/mol
LogP8.79
Rot. Bonds20

About bis(dodec-9-ynoxy)-diethylsilane

bis(dodec-9-ynoxy)-diethylsilane (PubChem CID 91737548) has the molecular formula C28H52O2Si and a molecular weight of 448.81 g/mol. Its IUPAC name is bis(dodec-9-ynoxy)-diethylsilane.

Molecular Properties

Compound Namebis(dodec-9-ynoxy)-diethylsilane
PubChem CID91737548
Molecular FormulaC28H52O2Si
Molecular Weight448.81 g/mol
Exact Mass448.37
IUPAC Namebis(dodec-9-ynoxy)-diethylsilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCC#CCC
InChIInChI=1S/C28H52O2Si/c1-5-9-11-13-15-17-19-21-23-25-27-29-31(7-3,8-4)30-28-26-24-22-20-18-16-14-12-10-6-2/h5-8,13-28H2,1-4H3
InChIKeyRODNTRHKSIKEQI-UHFFFAOYSA-N
XLogP8.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.81
LogP ≤ 58.79
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 bis(dodec-9-ynoxy)-diethylsilane?
The IUPAC name of bis(dodec-9-ynoxy)-diethylsilane (CID 91737548) is bis(dodec-9-ynoxy)-diethylsilane.
What is the SMILES notation for bis(dodec-9-ynoxy)-diethylsilane?
The canonical SMILES for bis(dodec-9-ynoxy)-diethylsilane is CCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCC#CCC.
What is the InChIKey of bis(dodec-9-ynoxy)-diethylsilane?
The InChIKey is RODNTRHKSIKEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O2Si/c1-5-9-11-13-15-17-19-21-23-25-27-29-31(7-3,8-4)30-28-26-24-22-20-18-16-14-12-10-6-2/h5-8,13-28H2,1-4H3.
What are the key properties of bis(dodec-9-ynoxy)-diethylsilane?
bis(dodec-9-ynoxy)-diethylsilane has a molecular weight of 448.81 g/mol, XLogP of 8.79, 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)-diethylsilane is sourced from PubChem (CID 91737548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).