chloro-dodec-9-ynoxy-diethylsilane

C16H31ClOSi — CID 91704339

IUPACchloro-dodec-9-ynoxy-diethylsilane
SMILESCCC#CCCCCCCCCO[Si](Cl)(CC)CC
InChIInChI=1S/C16H31ClOSi/c1-4-7-8-9-10-11-12-13-14-15-16-18-19(17,5-2)6-3/h4-6,9-16H2,1-3H3
InChIKeyZJXASFIWCLGEQT-UHFFFAOYSA-N
MW302.96 g/mol
LogP5.87
Rot. Bonds11

About chloro-dodec-9-ynoxy-diethylsilane

chloro-dodec-9-ynoxy-diethylsilane (PubChem CID 91704339) has the molecular formula C16H31ClOSi and a molecular weight of 302.96 g/mol. Its IUPAC name is chloro-dodec-9-ynoxy-diethylsilane.

Molecular Properties

Compound Namechloro-dodec-9-ynoxy-diethylsilane
PubChem CID91704339
Molecular FormulaC16H31ClOSi
Molecular Weight302.96 g/mol
Exact Mass302.18
IUPAC Namechloro-dodec-9-ynoxy-diethylsilane
SMILESCCC#CCCCCCCCCO[Si](Cl)(CC)CC
InChIInChI=1S/C16H31ClOSi/c1-4-7-8-9-10-11-12-13-14-15-16-18-19(17,5-2)6-3/h4-6,9-16H2,1-3H3
InChIKeyZJXASFIWCLGEQT-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.96
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dodec-9-ynoxy-diethyl-undecoxysilane
CID 91737547
chloro-diethyl-octoxysilane
CID 91735680
bis(dodec-9-ynoxy)-diphenylsilane
CID 91732606
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
triethyl(hex-3-ynoxy)silane
CID 102396948
9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne
CID 158832228
undec-8-ynyl propanoate
CID 132532033
non-6-yn-1-ol
CID 3017913
non-6-yn-1-amine
CID 87675821
[dimethyl(pyridin-2-ylmethoxy)silyl]oxy-[[dodec-9-ynoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 91724399
triethyl(undec-10-ynoxy)silane
CID 11300555

Frequently Asked Questions

What is the IUPAC name of chloro-dodec-9-ynoxy-diethylsilane?
The IUPAC name of chloro-dodec-9-ynoxy-diethylsilane (CID 91704339) is chloro-dodec-9-ynoxy-diethylsilane.
What is the SMILES notation for chloro-dodec-9-ynoxy-diethylsilane?
The canonical SMILES for chloro-dodec-9-ynoxy-diethylsilane is CCC#CCCCCCCCCO[Si](Cl)(CC)CC.
What is the InChIKey of chloro-dodec-9-ynoxy-diethylsilane?
The InChIKey is ZJXASFIWCLGEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClOSi/c1-4-7-8-9-10-11-12-13-14-15-16-18-19(17,5-2)6-3/h4-6,9-16H2,1-3H3.
What are the key properties of chloro-dodec-9-ynoxy-diethylsilane?
chloro-dodec-9-ynoxy-diethylsilane has a molecular weight of 302.96 g/mol, XLogP of 5.87, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dodec-9-ynoxy-diethylsilane is sourced from PubChem (CID 91704339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).