[(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane

C18H30O3Si2 — CID 134831241

IUPAC[(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESCOC(=C/C(=C\c1ccc(C)cc1)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H30O3Si2/c1-15-9-11-16(12-10-15)13-17(20-22(3,4)5)14-18(19-2)21-23(6,7)8/h9-14H,1-8H3/b17-13+,18-14?
InChIKeyITHUSQBKLBSPIU-QOPSANPBSA-N
MW350.61 g/mol
LogP5.53
Rot. Bonds7

About [(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane

[(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (PubChem CID 134831241) has the molecular formula C18H30O3Si2 and a molecular weight of 350.61 g/mol. Its IUPAC name is [(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
PubChem CID134831241
Molecular FormulaC18H30O3Si2
Molecular Weight350.61 g/mol
Exact Mass350.17
IUPAC Name[(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESCOC(=C/C(=C\c1ccc(C)cc1)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H30O3Si2/c1-15-9-11-16(12-10-15)13-17(20-22(3,4)5)14-18(19-2)21-23(6,7)8/h9-14H,1-8H3/b17-13+,18-14?
InChIKeyITHUSQBKLBSPIU-QOPSANPBSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.61
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (CID 134831241) is [(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is COC(=C/C(=C\c1ccc(C)cc1)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is ITHUSQBKLBSPIU-QOPSANPBSA-N. The full InChI is InChI=1S/C18H30O3Si2/c1-15-9-11-16(12-10-15)13-17(20-22(3,4)5)14-18(19-2)21-23(6,7)8/h9-14H,1-8H3/b17-13+,18-14?.
What are the key properties of [(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
[(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 350.61 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-1-methoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 134831241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).