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

C21H44O3Si2 — CID 91721104

IUPAC[dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCCCC
InChIInChI=1S/C21H44O3Si2/c1-7-9-11-12-13-14-15-16-17-19-21-23-26(5,6)24-25(3,4)22-20-18-10-8-2/h7-8,10,12-21H2,1-6H3
InChIKeyGQKFOZGHYYSBPW-UHFFFAOYSA-N
MW400.75 g/mol
LogP6.77
Rot. Bonds16

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

[dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane (PubChem CID 91721104) has the molecular formula C21H44O3Si2 and a molecular weight of 400.75 g/mol. Its IUPAC name is [dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane
PubChem CID91721104
Molecular FormulaC21H44O3Si2
Molecular Weight400.75 g/mol
Exact Mass400.28
IUPAC Name[dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCCCC
InChIInChI=1S/C21H44O3Si2/c1-7-9-11-12-13-14-15-16-17-19-21-23-26(5,6)24-25(3,4)22-20-18-10-8-2/h7-8,10,12-21H2,1-6H3
InChIKeyGQKFOZGHYYSBPW-UHFFFAOYSA-N
XLogP6.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.75
LogP ≤ 56.77
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 [dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane?
The IUPAC name of [dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane (CID 91721104) is [dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane.
What is the SMILES notation for [dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane?
The canonical SMILES for [dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane is CCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCCCC.
What is the InChIKey of [dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane?
The InChIKey is GQKFOZGHYYSBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si2/c1-7-9-11-12-13-14-15-16-17-19-21-23-26(5,6)24-25(3,4)22-20-18-10-8-2/h7-8,10,12-21H2,1-6H3.
What are the key properties of [dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane?
[dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane has a molecular weight of 400.75 g/mol, XLogP of 6.77, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(pentoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane is sourced from PubChem (CID 91721104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).