dodec-9-ynoxy-dimethyl-propoxysilane

C17H34O2Si — CID 91697246

IUPACdodec-9-ynoxy-dimethyl-propoxysilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCC
InChIInChI=1S/C17H34O2Si/c1-5-7-8-9-10-11-12-13-14-15-17-19-20(3,4)18-16-6-2/h5-6,9-17H2,1-4H3
InChIKeyKCQQOYMMZSLOEK-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.28
Rot. Bonds12

About dodec-9-ynoxy-dimethyl-propoxysilane

dodec-9-ynoxy-dimethyl-propoxysilane (PubChem CID 91697246) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is dodec-9-ynoxy-dimethyl-propoxysilane.

Molecular Properties

Compound Namedodec-9-ynoxy-dimethyl-propoxysilane
PubChem CID91697246
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Namedodec-9-ynoxy-dimethyl-propoxysilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCC
InChIInChI=1S/C17H34O2Si/c1-5-7-8-9-10-11-12-13-14-15-17-19-20(3,4)18-16-6-2/h5-6,9-17H2,1-4H3
InChIKeyKCQQOYMMZSLOEK-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.28
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 dodec-9-ynoxy-dimethyl-propoxysilane?
The IUPAC name of dodec-9-ynoxy-dimethyl-propoxysilane (CID 91697246) is dodec-9-ynoxy-dimethyl-propoxysilane.
What is the SMILES notation for dodec-9-ynoxy-dimethyl-propoxysilane?
The canonical SMILES for dodec-9-ynoxy-dimethyl-propoxysilane is CCC#CCCCCCCCCO[Si](C)(C)OCCC.
What is the InChIKey of dodec-9-ynoxy-dimethyl-propoxysilane?
The InChIKey is KCQQOYMMZSLOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-5-7-8-9-10-11-12-13-14-15-17-19-20(3,4)18-16-6-2/h5-6,9-17H2,1-4H3.
What are the key properties of dodec-9-ynoxy-dimethyl-propoxysilane?
dodec-9-ynoxy-dimethyl-propoxysilane has a molecular weight of 298.54 g/mol, XLogP of 5.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-dimethyl-propoxysilane is sourced from PubChem (CID 91697246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).