dodec-9-ynoxy-diethyl-pentoxysilane

C21H42O2Si — CID 91737543

IUPACdodec-9-ynoxy-diethyl-pentoxysilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCC
InChIInChI=1S/C21H42O2Si/c1-5-9-11-12-13-14-15-16-17-19-21-23-24(7-3,8-4)22-20-18-10-6-2/h5-8,10,12-21H2,1-4H3
InChIKeyHNFUPONJBXQIDM-UHFFFAOYSA-N
MW354.65 g/mol
LogP6.84
Rot. Bonds16

About dodec-9-ynoxy-diethyl-pentoxysilane

dodec-9-ynoxy-diethyl-pentoxysilane (PubChem CID 91737543) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is dodec-9-ynoxy-diethyl-pentoxysilane.

Molecular Properties

Compound Namedodec-9-ynoxy-diethyl-pentoxysilane
PubChem CID91737543
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Namedodec-9-ynoxy-diethyl-pentoxysilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCC
InChIInChI=1S/C21H42O2Si/c1-5-9-11-12-13-14-15-16-17-19-21-23-24(7-3,8-4)22-20-18-10-6-2/h5-8,10,12-21H2,1-4H3
InChIKeyHNFUPONJBXQIDM-UHFFFAOYSA-N
XLogP6.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 56.84
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 dodec-9-ynoxy-diethyl-pentoxysilane?
The IUPAC name of dodec-9-ynoxy-diethyl-pentoxysilane (CID 91737543) is dodec-9-ynoxy-diethyl-pentoxysilane.
What is the SMILES notation for dodec-9-ynoxy-diethyl-pentoxysilane?
The canonical SMILES for dodec-9-ynoxy-diethyl-pentoxysilane is CCC#CCCCCCCCCO[Si](CC)(CC)OCCCCC.
What is the InChIKey of dodec-9-ynoxy-diethyl-pentoxysilane?
The InChIKey is HNFUPONJBXQIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-5-9-11-12-13-14-15-16-17-19-21-23-24(7-3,8-4)22-20-18-10-6-2/h5-8,10,12-21H2,1-4H3.
What are the key properties of dodec-9-ynoxy-diethyl-pentoxysilane?
dodec-9-ynoxy-diethyl-pentoxysilane has a molecular weight of 354.65 g/mol, XLogP of 6.84, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-diethyl-pentoxysilane is sourced from PubChem (CID 91737543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).