tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane

C12H25IOSi — CID 11035195

IUPACtert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane
SMILESC/C=C/[C@@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25IOSi/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h7-8,11H,9-10H2,1-6H3/b8-7+/t11-/m0/s1
InChIKeyFZUWOYCHGFUKKZ-AEZGRPFRSA-N
MW340.32 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane (PubChem CID 11035195) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane
PubChem CID11035195
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Nametert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane
SMILESC/C=C/[C@@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25IOSi/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h7-8,11H,9-10H2,1-6H3/b8-7+/t11-/m0/s1
InChIKeyFZUWOYCHGFUKKZ-AEZGRPFRSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane (CID 11035195) is tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane is C/C=C/[C@@H](CCI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane?
The InChIKey is FZUWOYCHGFUKKZ-AEZGRPFRSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h7-8,11H,9-10H2,1-6H3/b8-7+/t11-/m0/s1.
What are the key properties of tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11035195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).