dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane

C22H44O2Si — CID 91737493

IUPACdodec-9-ynoxy-diethyl-(4-methylpentoxy)silane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C22H44O2Si/c1-6-9-10-11-12-13-14-15-16-17-20-23-25(7-2,8-3)24-21-18-19-22(4)5/h22H,6-8,11-21H2,1-5H3
InChIKeyRIAQNQVZTVKXAC-UHFFFAOYSA-N
MW368.68 g/mol
LogP7.08
Rot. Bonds16

About dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane

dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane (PubChem CID 91737493) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Namedodec-9-ynoxy-diethyl-(4-methylpentoxy)silane
PubChem CID91737493
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Namedodec-9-ynoxy-diethyl-(4-methylpentoxy)silane
SMILESCCC#CCCCCCCCCO[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C22H44O2Si/c1-6-9-10-11-12-13-14-15-16-17-20-23-25(7-2,8-3)24-21-18-19-22(4)5/h22H,6-8,11-21H2,1-5H3
InChIKeyRIAQNQVZTVKXAC-UHFFFAOYSA-N
XLogP7.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 57.08
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

tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
4-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
Silane, dimethyl(dodec-9-ynyloxy)propoxy-
CID 91697246
Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, dimethyl(dodec-9-ynyloxy)ethoxy-
CID 91703734
Silane, dimethyldimethyl((dodec-9-ynyloxy)silyloxy)pentyloxy-
CID 91721104
Silane, dimethyldimethyl((dodec-9-ynyloxy)silyloxy)heptyloxy-
CID 91721107
Silane, dimethyl(dimethyl(2-methylbutoxy)silyloxy)dodecyloxy-
CID 91721111
Silane, dimethyldimethyl((dodec-9-ynyloxy)silyloxy)propoxy-
CID 91721143

Frequently Asked Questions

What is the IUPAC name of dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane?
The IUPAC name of dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane (CID 91737493) is dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane.
What is the SMILES notation for dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane?
The canonical SMILES for dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane is CCC#CCCCCCCCCO[Si](CC)(CC)OCCCC(C)C.
What is the InChIKey of dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane?
The InChIKey is RIAQNQVZTVKXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-6-9-10-11-12-13-14-15-16-17-20-23-25(7-2,8-3)24-21-18-19-22(4)5/h22H,6-8,11-21H2,1-5H3.
What are the key properties of dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane?
dodec-9-ynoxy-diethyl-(4-methylpentoxy)silane has a molecular weight of 368.68 g/mol, XLogP of 7.08, 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-(4-methylpentoxy)silane is sourced from PubChem (CID 91737493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).