dodecoxy-dodec-9-ynoxy-diethylsilane

C28H56O2Si — CID 91737549

IUPACdodecoxy-dodec-9-ynoxy-diethylsilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCCCCC
InChIInChI=1S/C28H56O2Si/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/h5-9,11,13-28H2,1-4H3
InChIKeyORKHMLPTDFYBJA-UHFFFAOYSA-N
MW452.84 g/mol
LogP9.57
Rot. Bonds23

About dodecoxy-dodec-9-ynoxy-diethylsilane

dodecoxy-dodec-9-ynoxy-diethylsilane (PubChem CID 91737549) has the molecular formula C28H56O2Si and a molecular weight of 452.84 g/mol. Its IUPAC name is dodecoxy-dodec-9-ynoxy-diethylsilane.

Molecular Properties

Compound Namedodecoxy-dodec-9-ynoxy-diethylsilane
PubChem CID91737549
Molecular FormulaC28H56O2Si
Molecular Weight452.84 g/mol
Exact Mass452.40
IUPAC Namedodecoxy-dodec-9-ynoxy-diethylsilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCCCCC
InChIInChI=1S/C28H56O2Si/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/h5-9,11,13-28H2,1-4H3
InChIKeyORKHMLPTDFYBJA-UHFFFAOYSA-N
XLogP9.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.84
LogP ≤ 59.57
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 dodecoxy-dodec-9-ynoxy-diethylsilane?
The IUPAC name of dodecoxy-dodec-9-ynoxy-diethylsilane (CID 91737549) is dodecoxy-dodec-9-ynoxy-diethylsilane.
What is the SMILES notation for dodecoxy-dodec-9-ynoxy-diethylsilane?
The canonical SMILES for dodecoxy-dodec-9-ynoxy-diethylsilane is CCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCCCCC.
What is the InChIKey of dodecoxy-dodec-9-ynoxy-diethylsilane?
The InChIKey is ORKHMLPTDFYBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O2Si/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/h5-9,11,13-28H2,1-4H3.
What are the key properties of dodecoxy-dodec-9-ynoxy-diethylsilane?
dodecoxy-dodec-9-ynoxy-diethylsilane has a molecular weight of 452.84 g/mol, XLogP of 9.57, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-dodec-9-ynoxy-diethylsilane is sourced from PubChem (CID 91737549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).