dodec-9-ynoxy-ethoxy-dimethylsilane

C16H32O2Si — CID 91703734

IUPACdodec-9-ynoxy-ethoxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCC
InChIInChI=1S/C16H32O2Si/c1-5-7-8-9-10-11-12-13-14-15-16-18-19(3,4)17-6-2/h5-6,9-16H2,1-4H3
InChIKeyOQFHUBMWMNSECG-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.89
Rot. Bonds11

About dodec-9-ynoxy-ethoxy-dimethylsilane

dodec-9-ynoxy-ethoxy-dimethylsilane (PubChem CID 91703734) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is dodec-9-ynoxy-ethoxy-dimethylsilane.

Molecular Properties

Compound Namedodec-9-ynoxy-ethoxy-dimethylsilane
PubChem CID91703734
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namedodec-9-ynoxy-ethoxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCC
InChIInChI=1S/C16H32O2Si/c1-5-7-8-9-10-11-12-13-14-15-16-18-19(3,4)17-6-2/h5-6,9-16H2,1-4H3
InChIKeyOQFHUBMWMNSECG-UHFFFAOYSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.89
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
(Dodecyloxy)trimethylsilane
CID 22587
(Hexadecyloxy)trimethylsilane
CID 22588
1-Docosanol, TMS
CID 529830
(Eicosyloxy)trimethylsilane
CID 6431467
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-octyloxy)-
CID 85708223
1-Trimethylsilyloxytetradecane
CID 522031
1-Triethylsilyloxydecane
CID 523468
1-Tripropylsilyloxytetradecane
CID 523478

Frequently Asked Questions

What is the IUPAC name of dodec-9-ynoxy-ethoxy-dimethylsilane?
The IUPAC name of dodec-9-ynoxy-ethoxy-dimethylsilane (CID 91703734) is dodec-9-ynoxy-ethoxy-dimethylsilane.
What is the SMILES notation for dodec-9-ynoxy-ethoxy-dimethylsilane?
The canonical SMILES for dodec-9-ynoxy-ethoxy-dimethylsilane is CCC#CCCCCCCCCO[Si](C)(C)OCC.
What is the InChIKey of dodec-9-ynoxy-ethoxy-dimethylsilane?
The InChIKey is OQFHUBMWMNSECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-5-7-8-9-10-11-12-13-14-15-16-18-19(3,4)17-6-2/h5-6,9-16H2,1-4H3.
What are the key properties of dodec-9-ynoxy-ethoxy-dimethylsilane?
dodec-9-ynoxy-ethoxy-dimethylsilane has a molecular weight of 284.52 g/mol, XLogP of 4.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-ethoxy-dimethylsilane is sourced from PubChem (CID 91703734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).