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

C19H40O3Si2 — CID 91721143

IUPAC[dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCC
InChIInChI=1S/C19H40O3Si2/c1-7-9-10-11-12-13-14-15-16-17-19-21-24(5,6)22-23(3,4)20-18-8-2/h7-8,11-19H2,1-6H3
InChIKeyHCTMNNICSJJVJN-UHFFFAOYSA-N
MW372.70 g/mol
LogP5.99
Rot. Bonds14

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

[dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane (PubChem CID 91721143) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is [dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane
PubChem CID91721143
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name[dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCC
InChIInChI=1S/C19H40O3Si2/c1-7-9-10-11-12-13-14-15-16-17-19-21-24(5,6)22-23(3,4)20-18-8-2/h7-8,11-19H2,1-6H3
InChIKeyHCTMNNICSJJVJN-UHFFFAOYSA-N
XLogP5.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.99
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(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane?
The IUPAC name of [dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane (CID 91721143) is [dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane.
What is the SMILES notation for [dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane?
The canonical SMILES for [dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane is CCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCC.
What is the InChIKey of [dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane?
The InChIKey is HCTMNNICSJJVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-7-9-10-11-12-13-14-15-16-17-19-21-24(5,6)22-23(3,4)20-18-8-2/h7-8,11-19H2,1-6H3.
What are the key properties of [dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane?
[dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane has a molecular weight of 372.70 g/mol, XLogP of 5.99, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(propoxy)silyl]oxy-dodec-9-ynoxy-dimethylsilane is sourced from PubChem (CID 91721143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).