dodecoxy-dodec-9-ynoxy-dimethylsilane

C26H52O2Si — CID 91736069

IUPACdodecoxy-dodec-9-ynoxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCCCC
InChIInChI=1S/C26H52O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-7,9,11-26H2,1-4H3
InChIKeyRRZUHQCFQWRCLG-UHFFFAOYSA-N
MW424.79 g/mol
LogP8.79
Rot. Bonds21

About dodecoxy-dodec-9-ynoxy-dimethylsilane

dodecoxy-dodec-9-ynoxy-dimethylsilane (PubChem CID 91736069) has the molecular formula C26H52O2Si and a molecular weight of 424.79 g/mol. Its IUPAC name is dodecoxy-dodec-9-ynoxy-dimethylsilane.

Molecular Properties

Compound Namedodecoxy-dodec-9-ynoxy-dimethylsilane
PubChem CID91736069
Molecular FormulaC26H52O2Si
Molecular Weight424.79 g/mol
Exact Mass424.37
IUPAC Namedodecoxy-dodec-9-ynoxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCCCC
InChIInChI=1S/C26H52O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-7,9,11-26H2,1-4H3
InChIKeyRRZUHQCFQWRCLG-UHFFFAOYSA-N
XLogP8.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.79
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
(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 dodecoxy-dodec-9-ynoxy-dimethylsilane?
The IUPAC name of dodecoxy-dodec-9-ynoxy-dimethylsilane (CID 91736069) is dodecoxy-dodec-9-ynoxy-dimethylsilane.
What is the SMILES notation for dodecoxy-dodec-9-ynoxy-dimethylsilane?
The canonical SMILES for dodecoxy-dodec-9-ynoxy-dimethylsilane is CCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCCCC.
What is the InChIKey of dodecoxy-dodec-9-ynoxy-dimethylsilane?
The InChIKey is RRZUHQCFQWRCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-7,9,11-26H2,1-4H3.
What are the key properties of dodecoxy-dodec-9-ynoxy-dimethylsilane?
dodecoxy-dodec-9-ynoxy-dimethylsilane has a molecular weight of 424.79 g/mol, XLogP of 8.79, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-dodec-9-ynoxy-dimethylsilane is sourced from PubChem (CID 91736069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).