cyclopentyl-methyl-diphenylphosphanium

C18H22P+ — CID 23413005

IUPACcyclopentyl-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)C1CCCC1
InChIInChI=1S/C18H22P/c1-19(18-14-8-9-15-18,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3/q+1
InChIKeyFEAFABHHMQLHDI-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.23
Rot. Bonds3

About cyclopentyl-methyl-diphenylphosphanium

cyclopentyl-methyl-diphenylphosphanium (PubChem CID 23413005) has the molecular formula C18H22P+ and a molecular weight of 269.35 g/mol. Its IUPAC name is cyclopentyl-methyl-diphenylphosphanium.

Molecular Properties

Compound Namecyclopentyl-methyl-diphenylphosphanium
PubChem CID23413005
Molecular FormulaC18H22P+
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Namecyclopentyl-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)C1CCCC1
InChIInChI=1S/C18H22P/c1-19(18-14-8-9-15-18,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3/q+1
InChIKeyFEAFABHHMQLHDI-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.23
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 cyclopentyl-methyl-diphenylphosphanium?
The IUPAC name of cyclopentyl-methyl-diphenylphosphanium (CID 23413005) is cyclopentyl-methyl-diphenylphosphanium.
What is the SMILES notation for cyclopentyl-methyl-diphenylphosphanium?
The canonical SMILES for cyclopentyl-methyl-diphenylphosphanium is C[P+](c1ccccc1)(c1ccccc1)C1CCCC1.
What is the InChIKey of cyclopentyl-methyl-diphenylphosphanium?
The InChIKey is FEAFABHHMQLHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22P/c1-19(18-14-8-9-15-18,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3/q+1.
What are the key properties of cyclopentyl-methyl-diphenylphosphanium?
cyclopentyl-methyl-diphenylphosphanium has a molecular weight of 269.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-methyl-diphenylphosphanium is sourced from PubChem (CID 23413005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).