dodec-9-ynoxy-dimethyl-undecoxysilane

C25H50O2Si — CID 91736068

IUPACdodec-9-ynoxy-dimethyl-undecoxysilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCCC
InChIInChI=1S/C25H50O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-28(3,4)26-24-22-20-18-16-14-12-10-8-6-2/h5-6,8,10-25H2,1-4H3
InChIKeyIYRZZSFSPQICGQ-UHFFFAOYSA-N
MW410.76 g/mol
LogP8.40
Rot. Bonds20

About dodec-9-ynoxy-dimethyl-undecoxysilane

dodec-9-ynoxy-dimethyl-undecoxysilane (PubChem CID 91736068) has the molecular formula C25H50O2Si and a molecular weight of 410.76 g/mol. Its IUPAC name is dodec-9-ynoxy-dimethyl-undecoxysilane.

Molecular Properties

Compound Namedodec-9-ynoxy-dimethyl-undecoxysilane
PubChem CID91736068
Molecular FormulaC25H50O2Si
Molecular Weight410.76 g/mol
Exact Mass410.36
IUPAC Namedodec-9-ynoxy-dimethyl-undecoxysilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCCC
InChIInChI=1S/C25H50O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-28(3,4)26-24-22-20-18-16-14-12-10-8-6-2/h5-6,8,10-25H2,1-4H3
InChIKeyIYRZZSFSPQICGQ-UHFFFAOYSA-N
XLogP8.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.76
LogP ≤ 58.40
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-undecoxysilane?
The IUPAC name of dodec-9-ynoxy-dimethyl-undecoxysilane (CID 91736068) is dodec-9-ynoxy-dimethyl-undecoxysilane.
What is the SMILES notation for dodec-9-ynoxy-dimethyl-undecoxysilane?
The canonical SMILES for dodec-9-ynoxy-dimethyl-undecoxysilane is CCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCCC.
What is the InChIKey of dodec-9-ynoxy-dimethyl-undecoxysilane?
The InChIKey is IYRZZSFSPQICGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-28(3,4)26-24-22-20-18-16-14-12-10-8-6-2/h5-6,8,10-25H2,1-4H3.
What are the key properties of dodec-9-ynoxy-dimethyl-undecoxysilane?
dodec-9-ynoxy-dimethyl-undecoxysilane has a molecular weight of 410.76 g/mol, XLogP of 8.40, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-dimethyl-undecoxysilane is sourced from PubChem (CID 91736068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).