tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane

C12H23IOSi — CID 10947731

IUPACtert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane
SMILESCC(/C=C/I)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23IOSi/c1-11(7-9-13)8-10-14-15(5,6)12(2,3)4/h7-9H,10H2,1-6H3/b9-7+,11-8+
InChIKeyBHXRHHCIRNHGJZ-BIZFVBGRSA-N
MW338.31 g/mol
LogP4.90
Rot. Bonds4

About tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane

tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane (PubChem CID 10947731) has the molecular formula C12H23IOSi and a molecular weight of 338.31 g/mol. Its IUPAC name is tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane
PubChem CID10947731
Molecular FormulaC12H23IOSi
Molecular Weight338.31 g/mol
Exact Mass338.06
IUPAC Nametert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane
SMILESCC(/C=C/I)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23IOSi/c1-11(7-9-13)8-10-14-15(5,6)12(2,3)4/h7-9H,10H2,1-6H3/b9-7+,11-8+
InChIKeyBHXRHHCIRNHGJZ-BIZFVBGRSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane (CID 10947731) is tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane is CC(/C=C/I)=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane?
The InChIKey is BHXRHHCIRNHGJZ-BIZFVBGRSA-N. The full InChI is InChI=1S/C12H23IOSi/c1-11(7-9-13)8-10-14-15(5,6)12(2,3)4/h7-9H,10H2,1-6H3/b9-7+,11-8+.
What are the key properties of tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane?
tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane has a molecular weight of 338.31 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4E)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane is sourced from PubChem (CID 10947731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).