[(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane

C14H24O2Si — CID 10682267

IUPAC[(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane
SMILESC#CC(=C\[Si](C)(C)C)/C=C/C(OCC)OCC
InChIInChI=1S/C14H24O2Si/c1-7-13(12-17(4,5)6)10-11-14(15-8-2)16-9-3/h1,10-12,14H,8-9H2,2-6H3/b11-10+,13-12+
InChIKeyHKMHYDVTJBFFFJ-AQASXUMVSA-N
MW252.43 g/mol
LogP3.38
Rot. Bonds7

About [(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane

[(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane (PubChem CID 10682267) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is [(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane
PubChem CID10682267
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name[(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane
SMILESC#CC(=C\[Si](C)(C)C)/C=C/C(OCC)OCC
InChIInChI=1S/C14H24O2Si/c1-7-13(12-17(4,5)6)10-11-14(15-8-2)16-9-3/h1,10-12,14H,8-9H2,2-6H3/b11-10+,13-12+
InChIKeyHKMHYDVTJBFFFJ-AQASXUMVSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(1E,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
CID 10805942
[(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
CID 177451165

Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane (CID 10682267) is [(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane is C#CC(=C\[Si](C)(C)C)/C=C/C(OCC)OCC.
What is the InChIKey of [(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane?
The InChIKey is HKMHYDVTJBFFFJ-AQASXUMVSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-7-13(12-17(4,5)6)10-11-14(15-8-2)16-9-3/h1,10-12,14H,8-9H2,2-6H3/b11-10+,13-12+.
What are the key properties of [(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane?
[(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane has a molecular weight of 252.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 10682267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).