[(E)-pentadec-4-enyl]-triphenylphosphanium iodide

C33H44IP — CID 10698794

IUPAC[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
SMILESCCCCCCCCCC/C=C/CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C33H44P.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-34(31-24-17-14-18-25-31,32-26-19-15-20-27-32)33-28-21-16-22-29-33;/h11-12,14-22,24-29H,2-10,13,23,30H2,1H3;1H/q+1;/p-1/b12-11+;
InChIKeyGMPYEVFJHOZYLY-CALJPSDSSA-M
MW598.59 g/mol
LogP5.85
Rot. Bonds16

About [(E)-pentadec-4-enyl]-triphenylphosphanium iodide

[(E)-pentadec-4-enyl]-triphenylphosphanium iodide (PubChem CID 10698794) has the molecular formula C33H44IP and a molecular weight of 598.59 g/mol. Its IUPAC name is [(E)-pentadec-4-enyl]-triphenylphosphanium iodide.

Molecular Properties

Compound Name[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
PubChem CID10698794
Molecular FormulaC33H44IP
Molecular Weight598.59 g/mol
Exact Mass598.22
IUPAC Name[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
SMILESCCCCCCCCCC/C=C/CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C33H44P.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-34(31-24-17-14-18-25-31,32-26-19-15-20-27-32)33-28-21-16-22-29-33;/h11-12,14-22,24-29H,2-10,13,23,30H2,1H3;1H/q+1;/p-1/b12-11+;
InChIKeyGMPYEVFJHOZYLY-CALJPSDSSA-M
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.59
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
dodecyl(triphenyl)phosphanium iodide
CID 22245251
hexyl(triphenyl)phosphanium
CID 2724570
[(E)-11,11-diheptoxyundec-4-enyl]-triphenylphosphanium
CID 175312666
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
triphenyl(undecyl)phosphanium chloride
CID 22921220
11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride
CID 175312709
[(E)-11,11-dibutoxyundec-4-enyl]-triphenylphosphanium
CID 175312604
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
[(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride
CID 175312685
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603

Frequently Asked Questions

What is the IUPAC name of [(E)-pentadec-4-enyl]-triphenylphosphanium iodide?
The IUPAC name of [(E)-pentadec-4-enyl]-triphenylphosphanium iodide (CID 10698794) is [(E)-pentadec-4-enyl]-triphenylphosphanium iodide.
What is the SMILES notation for [(E)-pentadec-4-enyl]-triphenylphosphanium iodide?
The canonical SMILES for [(E)-pentadec-4-enyl]-triphenylphosphanium iodide is CCCCCCCCCC/C=C/CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of [(E)-pentadec-4-enyl]-triphenylphosphanium iodide?
The InChIKey is GMPYEVFJHOZYLY-CALJPSDSSA-M. The full InChI is InChI=1S/C33H44P.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-34(31-24-17-14-18-25-31,32-26-19-15-20-27-32)33-28-21-16-22-29-33;/h11-12,14-22,24-29H,2-10,13,23,30H2,1H3;1H/q+1;/p-1/b12-11+;.
What are the key properties of [(E)-pentadec-4-enyl]-triphenylphosphanium iodide?
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide has a molecular weight of 598.59 g/mol, XLogP of 5.85, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pentadec-4-enyl]-triphenylphosphanium iodide is sourced from PubChem (CID 10698794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).