decoxy-dodec-9-ynoxy-dimethylsilane

C24H48O2Si — CID 91736066

IUPACdecoxy-dodec-9-ynoxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCC
InChIInChI=1S/C24H48O2Si/c1-5-7-9-11-13-15-16-18-20-22-24-26-27(3,4)25-23-21-19-17-14-12-10-8-6-2/h5-6,8,10-24H2,1-4H3
InChIKeyVQUKAHBAXXKQAW-UHFFFAOYSA-N
MW396.73 g/mol
LogP8.01
Rot. Bonds19

About decoxy-dodec-9-ynoxy-dimethylsilane

decoxy-dodec-9-ynoxy-dimethylsilane (PubChem CID 91736066) has the molecular formula C24H48O2Si and a molecular weight of 396.73 g/mol. Its IUPAC name is decoxy-dodec-9-ynoxy-dimethylsilane.

Molecular Properties

Compound Namedecoxy-dodec-9-ynoxy-dimethylsilane
PubChem CID91736066
Molecular FormulaC24H48O2Si
Molecular Weight396.73 g/mol
Exact Mass396.34
IUPAC Namedecoxy-dodec-9-ynoxy-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCC
InChIInChI=1S/C24H48O2Si/c1-5-7-9-11-13-15-16-18-20-22-24-26-27(3,4)25-23-21-19-17-14-12-10-8-6-2/h5-6,8,10-24H2,1-4H3
InChIKeyVQUKAHBAXXKQAW-UHFFFAOYSA-N
XLogP8.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 58.01
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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Frequently Asked Questions

What is the IUPAC name of decoxy-dodec-9-ynoxy-dimethylsilane?
The IUPAC name of decoxy-dodec-9-ynoxy-dimethylsilane (CID 91736066) is decoxy-dodec-9-ynoxy-dimethylsilane.
What is the SMILES notation for decoxy-dodec-9-ynoxy-dimethylsilane?
The canonical SMILES for decoxy-dodec-9-ynoxy-dimethylsilane is CCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCC.
What is the InChIKey of decoxy-dodec-9-ynoxy-dimethylsilane?
The InChIKey is VQUKAHBAXXKQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2Si/c1-5-7-9-11-13-15-16-18-20-22-24-26-27(3,4)25-23-21-19-17-14-12-10-8-6-2/h5-6,8,10-24H2,1-4H3.
What are the key properties of decoxy-dodec-9-ynoxy-dimethylsilane?
decoxy-dodec-9-ynoxy-dimethylsilane has a molecular weight of 396.73 g/mol, XLogP of 8.01, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-dodec-9-ynoxy-dimethylsilane is sourced from PubChem (CID 91736066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).