[(E)-non-5-en-3-ynyl]-triphenylphosphanium

C27H28P+ — CID 11476770

IUPAC[(E)-non-5-en-3-ynyl]-triphenylphosphanium
SMILESCCC/C=C/C#CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28P/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h4-5,8-16,18-23H,2-3,17,24H2,1H3/q+1/b5-4+
InChIKeyQCUROELONDDOIB-SNAWJCMRSA-N
MW383.50 g/mol
LogP5.73
Rot. Bonds7

About [(E)-non-5-en-3-ynyl]-triphenylphosphanium

[(E)-non-5-en-3-ynyl]-triphenylphosphanium (PubChem CID 11476770) has the molecular formula C27H28P+ and a molecular weight of 383.50 g/mol. Its IUPAC name is [(E)-non-5-en-3-ynyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-non-5-en-3-ynyl]-triphenylphosphanium
PubChem CID11476770
Molecular FormulaC27H28P+
Molecular Weight383.50 g/mol
Exact Mass383.19
IUPAC Name[(E)-non-5-en-3-ynyl]-triphenylphosphanium
SMILESCCC/C=C/C#CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28P/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h4-5,8-16,18-23H,2-3,17,24H2,1H3/q+1/b5-4+
InChIKeyQCUROELONDDOIB-SNAWJCMRSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-non-5-en-3-ynyl]-triphenylphosphanium?
The IUPAC name of [(E)-non-5-en-3-ynyl]-triphenylphosphanium (CID 11476770) is [(E)-non-5-en-3-ynyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-non-5-en-3-ynyl]-triphenylphosphanium?
The canonical SMILES for [(E)-non-5-en-3-ynyl]-triphenylphosphanium is CCC/C=C/C#CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-non-5-en-3-ynyl]-triphenylphosphanium?
The InChIKey is QCUROELONDDOIB-SNAWJCMRSA-N. The full InChI is InChI=1S/C27H28P/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h4-5,8-16,18-23H,2-3,17,24H2,1H3/q+1/b5-4+.
What are the key properties of [(E)-non-5-en-3-ynyl]-triphenylphosphanium?
[(E)-non-5-en-3-ynyl]-triphenylphosphanium has a molecular weight of 383.50 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-non-5-en-3-ynyl]-triphenylphosphanium is sourced from PubChem (CID 11476770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).