tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane

C17H27IO3Si — CID 10646466

IUPACtert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane
SMILESCOc1cc(C)c(/C=C/I)c(O[Si](C)(C)C(C)(C)C)c1OC
InChIInChI=1S/C17H27IO3Si/c1-12-11-14(19-5)16(20-6)15(13(12)9-10-18)21-22(7,8)17(2,3)4/h9-11H,1-8H3/b10-9+
InChIKeyOEEPOKPVNHRMIU-MDZDMXLPSA-N
MW434.39 g/mol
LogP5.80
Rot. Bonds5

About tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane

tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane (PubChem CID 10646466) has the molecular formula C17H27IO3Si and a molecular weight of 434.39 g/mol. Its IUPAC name is tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane
PubChem CID10646466
Molecular FormulaC17H27IO3Si
Molecular Weight434.39 g/mol
Exact Mass434.08
IUPAC Nametert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane
SMILESCOc1cc(C)c(/C=C/I)c(O[Si](C)(C)C(C)(C)C)c1OC
InChIInChI=1S/C17H27IO3Si/c1-12-11-14(19-5)16(20-6)15(13(12)9-10-18)21-22(7,8)17(2,3)4/h9-11H,1-8H3/b10-9+
InChIKeyOEEPOKPVNHRMIU-MDZDMXLPSA-N
XLogP5.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane (CID 10646466) is tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane is COc1cc(C)c(/C=C/I)c(O[Si](C)(C)C(C)(C)C)c1OC.
What is the InChIKey of tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane?
The InChIKey is OEEPOKPVNHRMIU-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H27IO3Si/c1-12-11-14(19-5)16(20-6)15(13(12)9-10-18)21-22(7,8)17(2,3)4/h9-11H,1-8H3/b10-9+.
What are the key properties of tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane?
tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane has a molecular weight of 434.39 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane is sourced from PubChem (CID 10646466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).