bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane

C30H60O4Si3 — CID 91704494

IUPACbis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCCCCCCCCC#CCC
InChIInChI=1S/C30H60O4Si3/c1-9-11-13-15-17-19-21-23-25-27-29-31-35(3,4)33-37(7,8)34-36(5,6)32-30-28-26-24-22-20-18-16-14-12-10-2/h9-10,15-30H2,1-8H3
InChIKeyPIJKVERHYHUAOK-UHFFFAOYSA-N
MW569.06 g/mol
LogP9.45
Rot. Bonds22

About bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane

bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane (PubChem CID 91704494) has the molecular formula C30H60O4Si3 and a molecular weight of 569.06 g/mol. Its IUPAC name is bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane.

Molecular Properties

Compound Namebis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane
PubChem CID91704494
Molecular FormulaC30H60O4Si3
Molecular Weight569.06 g/mol
Exact Mass568.38
IUPAC Namebis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCCCCCCCCC#CCC
InChIInChI=1S/C30H60O4Si3/c1-9-11-13-15-17-19-21-23-25-27-29-31-35(3,4)33-37(7,8)34-36(5,6)32-30-28-26-24-22-20-18-16-14-12-10-2/h9-10,15-30H2,1-8H3
InChIKeyPIJKVERHYHUAOK-UHFFFAOYSA-N
XLogP9.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.06
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-(3-((8-Methoxyoctyl)oxy)propyl)-1,1,1,3,5,5,5-heptamethyltrisiloxane
CID 60196421
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
bis(Dodecyloxy)(dimethyl)silane
CID 20716717
Dimethyl(bis(tetradecyloxy))silane
CID 71372948
Silane, dimethyl(dimethyloctyloxysilyloxy)octyloxy-
CID 91744223
Silane, dimethyl(dimethyldecyloxysilyloxy)decyloxy-
CID 91745235
3,12-Dioxa-2,13-disilatetradecane, 2,2,13,13-tetramethyl-
CID 550432
3,14-Dioxa-2,15-disilahexadecane, 2,2,15,15-tetramethyl-
CID 558272
1,9-Bis(trimethylsiloxy)nonane
CID 522106
Silane, dimethyldinonyloxy-
CID 16657298
Silane, dimethyl(dodec-9-ynyloxy)propoxy-
CID 91697246

Frequently Asked Questions

What is the IUPAC name of bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane?
The IUPAC name of bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane (CID 91704494) is bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane.
What is the SMILES notation for bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane?
The canonical SMILES for bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane is CCC#CCCCCCCCCO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCCCCCCCCC#CCC.
What is the InChIKey of bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane?
The InChIKey is PIJKVERHYHUAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O4Si3/c1-9-11-13-15-17-19-21-23-25-27-29-31-35(3,4)33-37(7,8)34-36(5,6)32-30-28-26-24-22-20-18-16-14-12-10-2/h9-10,15-30H2,1-8H3.
What are the key properties of bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane?
bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane has a molecular weight of 569.06 g/mol, XLogP of 9.45, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[dodec-9-ynoxy(dimethyl)silyl]oxy]-dimethylsilane is sourced from PubChem (CID 91704494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).