[(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane

C15H24OSi — CID 22962106

IUPAC[(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane
SMILESCCOCC#CCC/C=C/CC#C[Si](C)(C)C
InChIInChI=1S/C15H24OSi/c1-5-16-14-12-10-8-6-7-9-11-13-15-17(2,3)4/h7,9H,5-6,8,11,14H2,1-4H3/b9-7+
InChIKeyRUYZAGQHHQROOI-VQHVLOKHSA-N
MW248.44 g/mol
LogP3.63
Rot. Bonds5

About [(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane

[(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane (PubChem CID 22962106) has the molecular formula C15H24OSi and a molecular weight of 248.44 g/mol. Its IUPAC name is [(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane
PubChem CID22962106
Molecular FormulaC15H24OSi
Molecular Weight248.44 g/mol
Exact Mass248.16
IUPAC Name[(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane
SMILESCCOCC#CCC/C=C/CC#C[Si](C)(C)C
InChIInChI=1S/C15H24OSi/c1-5-16-14-12-10-8-6-7-9-11-13-15-17(2,3)4/h7,9H,5-6,8,11,14H2,1-4H3/b9-7+
InChIKeyRUYZAGQHHQROOI-VQHVLOKHSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.63
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 [(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane?
The IUPAC name of [(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane (CID 22962106) is [(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane.
What is the SMILES notation for [(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane?
The canonical SMILES for [(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane is CCOCC#CCC/C=C/CC#C[Si](C)(C)C.
What is the InChIKey of [(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane?
The InChIKey is RUYZAGQHHQROOI-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H24OSi/c1-5-16-14-12-10-8-6-7-9-11-13-15-17(2,3)4/h7,9H,5-6,8,11,14H2,1-4H3/b9-7+.
What are the key properties of [(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane?
[(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane has a molecular weight of 248.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-10-ethoxydec-4-en-1,8-diynyl]-trimethylsilane is sourced from PubChem (CID 22962106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).