butoxy-dodec-9-ynoxy-diethylsilane

C20H40O2Si — CID 91737542

IUPACbutoxy-dodec-9-ynoxy-diethylsilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCC
InChIInChI=1S/C20H40O2Si/c1-5-9-11-12-13-14-15-16-17-18-20-22-23(7-3,8-4)21-19-10-6-2/h5-8,10,12-20H2,1-4H3
InChIKeySJUPDSXAXYEUKW-UHFFFAOYSA-N
MW340.62 g/mol
LogP6.45
Rot. Bonds15

About butoxy-dodec-9-ynoxy-diethylsilane

butoxy-dodec-9-ynoxy-diethylsilane (PubChem CID 91737542) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is butoxy-dodec-9-ynoxy-diethylsilane.

Molecular Properties

Compound Namebutoxy-dodec-9-ynoxy-diethylsilane
PubChem CID91737542
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Namebutoxy-dodec-9-ynoxy-diethylsilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCC
InChIInChI=1S/C20H40O2Si/c1-5-9-11-12-13-14-15-16-17-18-20-22-23(7-3,8-4)21-19-10-6-2/h5-8,10,12-20H2,1-4H3
InChIKeySJUPDSXAXYEUKW-UHFFFAOYSA-N
XLogP6.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.45
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
(Hexadecyloxy)trimethylsilane
CID 22588
Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
1-Docosanol, TMS
CID 529830
(Eicosyloxy)trimethylsilane
CID 6431467
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
1-Trimethylsilyloxytetradecane
CID 522031
1-Triethylsilyloxydecane
CID 523468

Frequently Asked Questions

What is the IUPAC name of butoxy-dodec-9-ynoxy-diethylsilane?
The IUPAC name of butoxy-dodec-9-ynoxy-diethylsilane (CID 91737542) is butoxy-dodec-9-ynoxy-diethylsilane.
What is the SMILES notation for butoxy-dodec-9-ynoxy-diethylsilane?
The canonical SMILES for butoxy-dodec-9-ynoxy-diethylsilane is CCC#CCCCCCCCCO[Si](CC)(CC)OCCCC.
What is the InChIKey of butoxy-dodec-9-ynoxy-diethylsilane?
The InChIKey is SJUPDSXAXYEUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-5-9-11-12-13-14-15-16-17-18-20-22-23(7-3,8-4)21-19-10-6-2/h5-8,10,12-20H2,1-4H3.
What are the key properties of butoxy-dodec-9-ynoxy-diethylsilane?
butoxy-dodec-9-ynoxy-diethylsilane has a molecular weight of 340.62 g/mol, XLogP of 6.45, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dodec-9-ynoxy-diethylsilane is sourced from PubChem (CID 91737542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).