[(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane

C12H24O2Si — CID 100960144

IUPAC[(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane
SMILESC/C=C(C(=C\OCC)\COC)/[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-12(15(4,5)6)11(9-13-3)10-14-8-2/h7,10H,8-9H2,1-6H3/b11-10+,12-7+
InChIKeyJTAIEUWSTWFRPY-MLKCCRLUSA-N
MW228.41 g/mol
LogP3.38
Rot. Bonds6

About [(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane

[(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane (PubChem CID 100960144) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is [(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane
PubChem CID100960144
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name[(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane
SMILESC/C=C(C(=C\OCC)\COC)/[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-12(15(4,5)6)11(9-13-3)10-14-8-2/h7,10H,8-9H2,1-6H3/b11-10+,12-7+
InChIKeyJTAIEUWSTWFRPY-MLKCCRLUSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3Z)-1-Methoxy-2-methyl-3-(trimethylsilyloxy)-1,3-pentadiene
CID 10921550
trimethyl-[2-[(1E,3E)-2-methylpenta-1,3-dienoxy]ethyl]silane
CID 11041744
carbon monoxide;[(E,2Z)-2-(ethoxymethylidene)-1-methoxy-3-trimethylsilylpent-3-enylidene]tungsten
CID 134983706
tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
CID 13498541
1-Methoxy-2,4-dimethyl-3-(trimethylsiloxy)butadiene
CID 53420224
triethyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxysilane
CID 11470546
[(1E,3E)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-trimethylsilane
CID 12000333
[(1E)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-trimethylsilane
CID 58886814
tert-butyl-[(1E)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
CID 58886815
Tert-butyl-(1-methoxy-2-methylpenta-1,3-dien-3-yl)oxy-dimethylsilane
CID 72452337
tert-butyl-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methoxy]-dimethylsilane
CID 173956392
tri(propan-2-yl)-(2H-pyran-4-ylmethoxy)silane
CID 175912136

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane?
The IUPAC name of [(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane (CID 100960144) is [(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane.
What is the SMILES notation for [(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane?
The canonical SMILES for [(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane is C/C=C(C(=C\OCC)\COC)/[Si](C)(C)C.
What is the InChIKey of [(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane?
The InChIKey is JTAIEUWSTWFRPY-MLKCCRLUSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-12(15(4,5)6)11(9-13-3)10-14-8-2/h7,10H,8-9H2,1-6H3/b11-10+,12-7+.
What are the key properties of [(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane?
[(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-1-ethoxy-2-(methoxymethyl)penta-1,3-dien-3-yl]-trimethylsilane is sourced from PubChem (CID 100960144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).