[(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane

C26H40OSi — CID 10786952

IUPAC[(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC#CCCC#CC(CCC#CCC/C=C\C)(CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H40OSi/c1-9-12-15-17-18-19-21-24-26(22-14-11-3,23-20-16-13-10-2)27-28(7,8)25(4,5)6/h2,9,11-12H,3,13-17,21-22,24H2,1,4-8H3/b12-9-
InChIKeyAOZCJJXVKDASBS-XFXZXTDPSA-N
MW396.69 g/mol
LogP7.27
Rot. Bonds10

About [(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane

[(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10786952) has the molecular formula C26H40OSi and a molecular weight of 396.69 g/mol. Its IUPAC name is [(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10786952
Molecular FormulaC26H40OSi
Molecular Weight396.69 g/mol
Exact Mass396.28
IUPAC Name[(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC#CCCC#CC(CCC#CCC/C=C\C)(CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H40OSi/c1-9-12-15-17-18-19-21-24-26(22-14-11-3,23-20-16-13-10-2)27-28(7,8)25(4,5)6/h2,9,11-12H,3,13-17,21-22,24H2,1,4-8H3/b12-9-
InChIKeyAOZCJJXVKDASBS-XFXZXTDPSA-N
XLogP7.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 57.27
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane (CID 10786952) is [(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane is C#CCCC#CC(CCC#CCC/C=C\C)(CCC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is AOZCJJXVKDASBS-XFXZXTDPSA-N. The full InChI is InChI=1S/C26H40OSi/c1-9-12-15-17-18-19-21-24-26(22-14-11-3,23-20-16-13-10-2)27-28(7,8)25(4,5)6/h2,9,11-12H,3,13-17,21-22,24H2,1,4-8H3/b12-9-.
What are the key properties of [(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane?
[(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 396.69 g/mol, XLogP of 7.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10786952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).