[(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane

C11H23IOSi — CID 10592195

IUPAC[(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane
SMILESCCCCC[C@@H](/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C11H23IOSi/c1-5-6-7-8-11(9-10-12)13-14(2,3)4/h9-11H,5-8H2,1-4H3/b10-9+/t11-/m0/s1
InChIKeyQFVXEMLZDBADJU-USKTWTLRSA-N
MW326.29 g/mol
LogP4.74
Rot. Bonds7

About [(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane

[(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane (PubChem CID 10592195) has the molecular formula C11H23IOSi and a molecular weight of 326.29 g/mol. Its IUPAC name is [(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane
PubChem CID10592195
Molecular FormulaC11H23IOSi
Molecular Weight326.29 g/mol
Exact Mass326.06
IUPAC Name[(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane
SMILESCCCCC[C@@H](/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C11H23IOSi/c1-5-6-7-8-11(9-10-12)13-14(2,3)4/h9-11H,5-8H2,1-4H3/b10-9+/t11-/m0/s1
InChIKeyQFVXEMLZDBADJU-USKTWTLRSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 54.74
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane?
The IUPAC name of [(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane (CID 10592195) is [(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane is CCCCC[C@@H](/C=C/I)O[Si](C)(C)C.
What is the InChIKey of [(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane?
The InChIKey is QFVXEMLZDBADJU-USKTWTLRSA-N. The full InChI is InChI=1S/C11H23IOSi/c1-5-6-7-8-11(9-10-12)13-14(2,3)4/h9-11H,5-8H2,1-4H3/b10-9+/t11-/m0/s1.
What are the key properties of [(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane?
[(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane has a molecular weight of 326.29 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-1-iodooct-1-en-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 10592195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).