butyl-(4,4-dimethylpentyl)-diphenylphosphanium

C23H34P+ — CID 58520425

IUPACbutyl-(4,4-dimethylpentyl)-diphenylphosphanium
SMILESCCCC[P+](CCCC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H34P/c1-5-6-19-24(20-13-18-23(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17H,5-6,13,18-20H2,1-4H3/q+1
InChIKeyNHMZLZICWIGIMN-UHFFFAOYSA-N
MW341.50 g/mol
LogP6.28
Rot. Bonds8

About butyl-(4,4-dimethylpentyl)-diphenylphosphanium

butyl-(4,4-dimethylpentyl)-diphenylphosphanium (PubChem CID 58520425) has the molecular formula C23H34P+ and a molecular weight of 341.50 g/mol. Its IUPAC name is butyl-(4,4-dimethylpentyl)-diphenylphosphanium.

Molecular Properties

Compound Namebutyl-(4,4-dimethylpentyl)-diphenylphosphanium
PubChem CID58520425
Molecular FormulaC23H34P+
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Namebutyl-(4,4-dimethylpentyl)-diphenylphosphanium
SMILESCCCC[P+](CCCC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H34P/c1-5-6-19-24(20-13-18-23(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17H,5-6,13,18-20H2,1-4H3/q+1
InChIKeyNHMZLZICWIGIMN-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-(4,4-dimethylpentyl)-diphenylphosphanium?
The IUPAC name of butyl-(4,4-dimethylpentyl)-diphenylphosphanium (CID 58520425) is butyl-(4,4-dimethylpentyl)-diphenylphosphanium.
What is the SMILES notation for butyl-(4,4-dimethylpentyl)-diphenylphosphanium?
The canonical SMILES for butyl-(4,4-dimethylpentyl)-diphenylphosphanium is CCCC[P+](CCCC(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of butyl-(4,4-dimethylpentyl)-diphenylphosphanium?
The InChIKey is NHMZLZICWIGIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34P/c1-5-6-19-24(20-13-18-23(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17H,5-6,13,18-20H2,1-4H3/q+1.
What are the key properties of butyl-(4,4-dimethylpentyl)-diphenylphosphanium?
butyl-(4,4-dimethylpentyl)-diphenylphosphanium has a molecular weight of 341.50 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(4,4-dimethylpentyl)-diphenylphosphanium is sourced from PubChem (CID 58520425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).