dibutyl(dicyclopentyl)phosphanium

C18H36P+ — CID 66716963

IUPACdibutyl(dicyclopentyl)phosphanium
SMILESCCCC[P+](CCCC)(C1CCCC1)C1CCCC1
InChIInChI=1S/C18H36P/c1-3-5-15-19(16-6-4-2,17-11-7-8-12-17)18-13-9-10-14-18/h17-18H,3-16H2,1-2H3/q+1
InChIKeyKDOOYVOYRFEHCL-UHFFFAOYSA-N
MW283.46 g/mol
LogP6.49
Rot. Bonds8

About dibutyl(dicyclopentyl)phosphanium

dibutyl(dicyclopentyl)phosphanium (PubChem CID 66716963) has the molecular formula C18H36P+ and a molecular weight of 283.46 g/mol. Its IUPAC name is dibutyl(dicyclopentyl)phosphanium.

Molecular Properties

Compound Namedibutyl(dicyclopentyl)phosphanium
PubChem CID66716963
Molecular FormulaC18H36P+
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namedibutyl(dicyclopentyl)phosphanium
SMILESCCCC[P+](CCCC)(C1CCCC1)C1CCCC1
InChIInChI=1S/C18H36P/c1-3-5-15-19(16-6-4-2,17-11-7-8-12-17)18-13-9-10-14-18/h17-18H,3-16H2,1-2H3/q+1
InChIKeyKDOOYVOYRFEHCL-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 56.49
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 dibutyl(dicyclopentyl)phosphanium?
The IUPAC name of dibutyl(dicyclopentyl)phosphanium (CID 66716963) is dibutyl(dicyclopentyl)phosphanium.
What is the SMILES notation for dibutyl(dicyclopentyl)phosphanium?
The canonical SMILES for dibutyl(dicyclopentyl)phosphanium is CCCC[P+](CCCC)(C1CCCC1)C1CCCC1.
What is the InChIKey of dibutyl(dicyclopentyl)phosphanium?
The InChIKey is KDOOYVOYRFEHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36P/c1-3-5-15-19(16-6-4-2,17-11-7-8-12-17)18-13-9-10-14-18/h17-18H,3-16H2,1-2H3/q+1.
What are the key properties of dibutyl(dicyclopentyl)phosphanium?
dibutyl(dicyclopentyl)phosphanium has a molecular weight of 283.46 g/mol, XLogP of 6.49, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(dicyclopentyl)phosphanium is sourced from PubChem (CID 66716963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).