[(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane

C26H44OSi — CID 10668731

IUPAC[(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane
SMILESC#CCCC(C#CCC/C=C\CCCCC)(CCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C26H44OSi/c1-7-13-16-17-18-19-20-21-22-25-26(23-14-8-2,24-15-9-3)27-28(10-4,11-5)12-6/h2,9,18-19H,3,7,10-17,20-21,23-24H2,1,4-6H3/b19-18-
InChIKeyNHKMOJMEMBMLMW-HNENSFHCSA-N
MW400.72 g/mol
LogP8.05
Rot. Bonds16

About [(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane

[(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane (PubChem CID 10668731) has the molecular formula C26H44OSi and a molecular weight of 400.72 g/mol. Its IUPAC name is [(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane
PubChem CID10668731
Molecular FormulaC26H44OSi
Molecular Weight400.72 g/mol
Exact Mass400.32
IUPAC Name[(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane
SMILESC#CCCC(C#CCC/C=C\CCCCC)(CCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C26H44OSi/c1-7-13-16-17-18-19-20-21-22-25-26(23-14-8-2,24-15-9-3)27-28(10-4,11-5)12-6/h2,9,18-19H,3,7,10-17,20-21,23-24H2,1,4-6H3/b19-18-
InChIKeyNHKMOJMEMBMLMW-HNENSFHCSA-N
XLogP8.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.72
LogP ≤ 58.05
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 [(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane?
The IUPAC name of [(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane (CID 10668731) is [(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane.
What is the SMILES notation for [(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane?
The canonical SMILES for [(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane is C#CCCC(C#CCC/C=C\CCCCC)(CCC=C)O[Si](CC)(CC)CC.
What is the InChIKey of [(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane?
The InChIKey is NHKMOJMEMBMLMW-HNENSFHCSA-N. The full InChI is InChI=1S/C26H44OSi/c1-7-13-16-17-18-19-20-21-22-25-26(23-14-8-2,24-15-9-3)27-28(10-4,11-5)12-6/h2,9,18-19H,3,7,10-17,20-21,23-24H2,1,4-6H3/b19-18-.
What are the key properties of [(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane?
[(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane has a molecular weight of 400.72 g/mol, XLogP of 8.05, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(10Z)-5-but-3-ynylhexadeca-1,10-dien-6-yn-5-yl]oxy-triethylsilane is sourced from PubChem (CID 10668731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).