[(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane

C17H24O3Si — CID 11278125

IUPAC[(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane
SMILESCOC/C(=C\[Si](C)(C)C)C/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C17H24O3Si/c1-18-11-15(12-21(2,3)4)7-5-6-14-8-9-16-17(10-14)20-13-19-16/h5-6,8-10,12H,7,11,13H2,1-4H3/b6-5+,15-12-
InChIKeyFEYFQUXFOYCURQ-FBBMYGJOSA-N
MW304.46 g/mol
LogP4.27
Rot. Bonds6

About [(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane

[(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane (PubChem CID 11278125) has the molecular formula C17H24O3Si and a molecular weight of 304.46 g/mol. Its IUPAC name is [(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane
PubChem CID11278125
Molecular FormulaC17H24O3Si
Molecular Weight304.46 g/mol
Exact Mass304.15
IUPAC Name[(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane
SMILESCOC/C(=C\[Si](C)(C)C)C/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C17H24O3Si/c1-18-11-15(12-21(2,3)4)7-5-6-14-8-9-16-17(10-14)20-13-19-16/h5-6,8-10,12H,7,11,13H2,1-4H3/b6-5+,15-12-
InChIKeyFEYFQUXFOYCURQ-FBBMYGJOSA-N
XLogP4.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane?
The IUPAC name of [(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane (CID 11278125) is [(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane.
What is the SMILES notation for [(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane?
The canonical SMILES for [(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane is COC/C(=C\[Si](C)(C)C)C/C=C/c1ccc2c(c1)OCO2.
What is the InChIKey of [(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane?
The InChIKey is FEYFQUXFOYCURQ-FBBMYGJOSA-N. The full InChI is InChI=1S/C17H24O3Si/c1-18-11-15(12-21(2,3)4)7-5-6-14-8-9-16-17(10-14)20-13-19-16/h5-6,8-10,12H,7,11,13H2,1-4H3/b6-5+,15-12-.
What are the key properties of [(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane?
[(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane has a molecular weight of 304.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane is sourced from PubChem (CID 11278125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).