dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane

C23H48O3Si2 — CID 91721107

IUPACdodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCCCCCC
InChIInChI=1S/C23H48O3Si2/c1-7-9-11-13-14-15-16-17-19-21-23-25-28(5,6)26-27(3,4)24-22-20-18-12-10-8-2/h7-8,10,12-23H2,1-6H3
InChIKeyNPJCSRMHMDYUQS-UHFFFAOYSA-N
MW428.81 g/mol
LogP7.55
Rot. Bonds18

About dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane

dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 91721107) has the molecular formula C23H48O3Si2 and a molecular weight of 428.81 g/mol. Its IUPAC name is dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Namedodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane
PubChem CID91721107
Molecular FormulaC23H48O3Si2
Molecular Weight428.81 g/mol
Exact Mass428.31
IUPAC Namedodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCCCCCC
InChIInChI=1S/C23H48O3Si2/c1-7-9-11-13-14-15-16-17-19-21-23-25-28(5,6)26-27(3,4)24-22-20-18-12-10-8-2/h7-8,10,12-23H2,1-6H3
InChIKeyNPJCSRMHMDYUQS-UHFFFAOYSA-N
XLogP7.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.81
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
1-Docosanol, TMS
CID 529830
(Eicosyloxy)trimethylsilane
CID 6431467
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
1-Trimethylsilyloxytetradecane
CID 522031
Diheptyloxydimethylsilane
CID 525743
(Heptacosyloxy)trimethylsilane
CID 529831
(Hexacosyloxy)trimethylsilane
CID 529833
1-Tetracosanol, TMS
CID 529837

Frequently Asked Questions

What is the IUPAC name of dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane (CID 91721107) is dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane is CCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCCCCCC.
What is the InChIKey of dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is NPJCSRMHMDYUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O3Si2/c1-7-9-11-13-14-15-16-17-19-21-23-25-28(5,6)26-27(3,4)24-22-20-18-12-10-8-2/h7-8,10,12-23H2,1-6H3.
What are the key properties of dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane?
dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 428.81 g/mol, XLogP of 7.55, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91721107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).