[(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane

C17H27IOSi — CID 102446950

IUPAC[(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane
SMILESCOc1cc(CCC/C=C/C[Si](C)(C)C)c(I)cc1C
InChIInChI=1S/C17H27IOSi/c1-14-12-16(18)15(13-17(14)19-2)10-8-6-7-9-11-20(3,4)5/h7,9,12-13H,6,8,10-11H2,1-5H3/b9-7+
InChIKeyLCIPDTAUDZTZDR-VQHVLOKHSA-N
MW402.39 g/mol
LogP5.83
Rot. Bonds7

About [(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane

[(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane (PubChem CID 102446950) has the molecular formula C17H27IOSi and a molecular weight of 402.39 g/mol. Its IUPAC name is [(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane
PubChem CID102446950
Molecular FormulaC17H27IOSi
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name[(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane
SMILESCOc1cc(CCC/C=C/C[Si](C)(C)C)c(I)cc1C
InChIInChI=1S/C17H27IOSi/c1-14-12-16(18)15(13-17(14)19-2)10-8-6-7-9-11-20(3,4)5/h7,9,12-13H,6,8,10-11H2,1-5H3/b9-7+
InChIKeyLCIPDTAUDZTZDR-VQHVLOKHSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.39
LogP ≤ 55.83
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane?
The IUPAC name of [(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane (CID 102446950) is [(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane?
The canonical SMILES for [(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane is COc1cc(CCC/C=C/C[Si](C)(C)C)c(I)cc1C.
What is the InChIKey of [(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane?
The InChIKey is LCIPDTAUDZTZDR-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H27IOSi/c1-14-12-16(18)15(13-17(14)19-2)10-8-6-7-9-11-20(3,4)5/h7,9,12-13H,6,8,10-11H2,1-5H3/b9-7+.
What are the key properties of [(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane?
[(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane has a molecular weight of 402.39 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-(2-iodo-5-methoxy-4-methylphenyl)hex-2-enyl]-trimethylsilane is sourced from PubChem (CID 102446950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).