[(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane

C13H23ISi — CID 11473089

IUPAC[(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane
SMILESCCC/C(I)=C(\C#C[Si](C)(C)C)CCC
InChIInChI=1S/C13H23ISi/c1-6-8-12(13(14)9-7-2)10-11-15(3,4)5/h6-9H2,1-5H3/b13-12+
InChIKeyMRAPUVZQZNOOOP-OUKQBFOZSA-N
MW334.32 g/mol
LogP5.16
Rot. Bonds4

About [(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane

[(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane (PubChem CID 11473089) has the molecular formula C13H23ISi and a molecular weight of 334.32 g/mol. Its IUPAC name is [(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane
PubChem CID11473089
Molecular FormulaC13H23ISi
Molecular Weight334.32 g/mol
Exact Mass334.06
IUPAC Name[(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane
SMILESCCC/C(I)=C(\C#C[Si](C)(C)C)CCC
InChIInChI=1S/C13H23ISi/c1-6-8-12(13(14)9-7-2)10-11-15(3,4)5/h6-9H2,1-5H3/b13-12+
InChIKeyMRAPUVZQZNOOOP-OUKQBFOZSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.32
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane (CID 11473089) is [(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane is CCC/C(I)=C(\C#C[Si](C)(C)C)CCC.
What is the InChIKey of [(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane?
The InChIKey is MRAPUVZQZNOOOP-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H23ISi/c1-6-8-12(13(14)9-7-2)10-11-15(3,4)5/h6-9H2,1-5H3/b13-12+.
What are the key properties of [(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane?
[(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane has a molecular weight of 334.32 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11473089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).