tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane

C18H30OSi — CID 10446969

IUPACtert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane
SMILESCCC/C=C/C#CCC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30OSi/c1-7-8-9-10-11-12-13-14-15-16-17-19-20(5,6)18(2,3)4/h9-10H,7-8,13,16-17H2,1-6H3/b10-9+
InChIKeyMHEGTVJNSBYTKA-MDZDMXLPSA-N
MW290.52 g/mol
LogP5.15
Rot. Bonds5

About tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane

tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane (PubChem CID 10446969) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane
PubChem CID10446969
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Nametert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane
SMILESCCC/C=C/C#CCC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30OSi/c1-7-8-9-10-11-12-13-14-15-16-17-19-20(5,6)18(2,3)4/h9-10H,7-8,13,16-17H2,1-6H3/b10-9+
InChIKeyMHEGTVJNSBYTKA-MDZDMXLPSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.15
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Hexen-1-ol, (4E)-, tert-butyldimethylsilyl ether
CID 15936622
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
trans-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 12010767
cis-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91722567
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
tert-Butyl(hepta-3,6-dienyloxy)dimethylsilane
CID 14214598
tert-butyl-[(Z)-hex-4-enoxy]-dimethylsilane
CID 162397527
tert-butyl-[(E)-8-fluoro-6-methylnon-7-en-4-ynoxy]-dimethylsilane
CID 173971989
tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
CID 11359968
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
CID 11438740
tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane
CID 12073746
tert-butyl-dimethyl-[(3E)-6-methylhepta-3,6-dienoxy]silane
CID 15668717

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane (CID 10446969) is tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane is CCC/C=C/C#CCC#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane?
The InChIKey is MHEGTVJNSBYTKA-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H30OSi/c1-7-8-9-10-11-12-13-14-15-16-17-19-20(5,6)18(2,3)4/h9-10H,7-8,13,16-17H2,1-6H3/b10-9+.
What are the key properties of tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane?
tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane has a molecular weight of 290.52 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-dodec-8-en-3,6-diynoxy]-dimethylsilane is sourced from PubChem (CID 10446969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).