triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium

C30H38P+ — CID 101160333

IUPACtriphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium
SMILESCC(C/C=C/CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(C)(C)C
InChIInChI=1S/C30H38P/c1-26(25-30(2,3)4)17-9-8-16-24-31(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h5-15,18-23,26H,16-17,24-25H2,1-4H3/q+1/b9-8+
InChIKeyAJMRYLMJKGBRFS-CMDGGOBGSA-N
MW429.61 g/mol
LogP7.39
Rot. Bonds9

About triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium

triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium (PubChem CID 101160333) has the molecular formula C30H38P+ and a molecular weight of 429.61 g/mol. Its IUPAC name is triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium
PubChem CID101160333
Molecular FormulaC30H38P+
Molecular Weight429.61 g/mol
Exact Mass429.27
IUPAC Nametriphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium
SMILESCC(C/C=C/CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(C)(C)C
InChIInChI=1S/C30H38P/c1-26(25-30(2,3)4)17-9-8-16-24-31(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h5-15,18-23,26H,16-17,24-25H2,1-4H3/q+1/b9-8+
InChIKeyAJMRYLMJKGBRFS-CMDGGOBGSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hex-3-enyl(triphenyl)phosphanium
CID 73026873
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
[(3Z,6Z)-nona-3,6-dienyl]-triphenylphosphanium
CID 10099245
[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium
CID 10437824
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
CID 10767190
(Z)-6,8,8-trimethylnon-3-en-1-amine
CID 129145208
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
CID 10767189
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
[(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium
CID 102504264
3,3-dimethylbutyl(triphenyl)phosphanium bromide
CID 71363385
(E)-3,8,10,10-tetramethylundec-5-ene
CID 155643591
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium?
The IUPAC name of triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium (CID 101160333) is triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium.
What is the SMILES notation for triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium?
The canonical SMILES for triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium is CC(C/C=C/CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(C)(C)C.
What is the InChIKey of triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium?
The InChIKey is AJMRYLMJKGBRFS-CMDGGOBGSA-N. The full InChI is InChI=1S/C30H38P/c1-26(25-30(2,3)4)17-9-8-16-24-31(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h5-15,18-23,26H,16-17,24-25H2,1-4H3/q+1/b9-8+.
What are the key properties of triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium?
triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium has a molecular weight of 429.61 g/mol, XLogP of 7.39, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium is sourced from PubChem (CID 101160333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).