dodec-9-ynoxy-diethyl-undecoxysilane

C27H54O2Si — CID 91737547

IUPACdodec-9-ynoxy-diethyl-undecoxysilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCCCC
InChIInChI=1S/C27H54O2Si/c1-5-9-11-13-15-17-19-21-23-25-27-29-30(7-3,8-4)28-26-24-22-20-18-16-14-12-10-6-2/h5-8,10,12-27H2,1-4H3
InChIKeyOILJOHBGTODUON-UHFFFAOYSA-N
MW438.81 g/mol
LogP9.18
Rot. Bonds22

About dodec-9-ynoxy-diethyl-undecoxysilane

dodec-9-ynoxy-diethyl-undecoxysilane (PubChem CID 91737547) has the molecular formula C27H54O2Si and a molecular weight of 438.81 g/mol. Its IUPAC name is dodec-9-ynoxy-diethyl-undecoxysilane.

Molecular Properties

Compound Namedodec-9-ynoxy-diethyl-undecoxysilane
PubChem CID91737547
Molecular FormulaC27H54O2Si
Molecular Weight438.81 g/mol
Exact Mass438.39
IUPAC Namedodec-9-ynoxy-diethyl-undecoxysilane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCCCC
InChIInChI=1S/C27H54O2Si/c1-5-9-11-13-15-17-19-21-23-25-27-29-30(7-3,8-4)28-26-24-22-20-18-16-14-12-10-6-2/h5-8,10,12-27H2,1-4H3
InChIKeyOILJOHBGTODUON-UHFFFAOYSA-N
XLogP9.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.81
LogP ≤ 59.18
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

decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-nonoxy-pentoxysilane
CID 91741088
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
chloro-dodec-9-ynoxy-diethylsilane
CID 91704339
diethyl-(2-methoxyethoxy)-octoxysilane
CID 91739391
henicos-8-yne
CID 22224321

Frequently Asked Questions

What is the IUPAC name of dodec-9-ynoxy-diethyl-undecoxysilane?
The IUPAC name of dodec-9-ynoxy-diethyl-undecoxysilane (CID 91737547) is dodec-9-ynoxy-diethyl-undecoxysilane.
What is the SMILES notation for dodec-9-ynoxy-diethyl-undecoxysilane?
The canonical SMILES for dodec-9-ynoxy-diethyl-undecoxysilane is CCC#CCCCCCCCCO[Si](CC)(CC)OCCCCCCCCCCC.
What is the InChIKey of dodec-9-ynoxy-diethyl-undecoxysilane?
The InChIKey is OILJOHBGTODUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O2Si/c1-5-9-11-13-15-17-19-21-23-25-27-29-30(7-3,8-4)28-26-24-22-20-18-16-14-12-10-6-2/h5-8,10,12-27H2,1-4H3.
What are the key properties of dodec-9-ynoxy-diethyl-undecoxysilane?
dodec-9-ynoxy-diethyl-undecoxysilane has a molecular weight of 438.81 g/mol, XLogP of 9.18, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-diethyl-undecoxysilane is sourced from PubChem (CID 91737547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).