tricyclopentyl(methyl)phosphanium

C16H30P+ — CID 23418214

IUPACtricyclopentyl(methyl)phosphanium
SMILESC[P+](C1CCCC1)(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H30P/c1-17(14-8-2-3-9-14,15-10-4-5-11-15)16-12-6-7-13-16/h14-16H,2-13H2,1H3/q+1
InChIKeyYZBDVOUYAUPHAG-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.46
Rot. Bonds3

About tricyclopentyl(methyl)phosphanium

tricyclopentyl(methyl)phosphanium (PubChem CID 23418214) has the molecular formula C16H30P+ and a molecular weight of 253.39 g/mol. Its IUPAC name is tricyclopentyl(methyl)phosphanium.

Molecular Properties

Compound Nametricyclopentyl(methyl)phosphanium
PubChem CID23418214
Molecular FormulaC16H30P+
Molecular Weight253.39 g/mol
Exact Mass253.21
IUPAC Nametricyclopentyl(methyl)phosphanium
SMILESC[P+](C1CCCC1)(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H30P/c1-17(14-8-2-3-9-14,15-10-4-5-11-15)16-12-6-7-13-16/h14-16H,2-13H2,1H3/q+1
InChIKeyYZBDVOUYAUPHAG-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.46
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 tricyclopentyl(methyl)phosphanium?
The IUPAC name of tricyclopentyl(methyl)phosphanium (CID 23418214) is tricyclopentyl(methyl)phosphanium.
What is the SMILES notation for tricyclopentyl(methyl)phosphanium?
The canonical SMILES for tricyclopentyl(methyl)phosphanium is C[P+](C1CCCC1)(C1CCCC1)C1CCCC1.
What is the InChIKey of tricyclopentyl(methyl)phosphanium?
The InChIKey is YZBDVOUYAUPHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30P/c1-17(14-8-2-3-9-14,15-10-4-5-11-15)16-12-6-7-13-16/h14-16H,2-13H2,1H3/q+1.
What are the key properties of tricyclopentyl(methyl)phosphanium?
tricyclopentyl(methyl)phosphanium has a molecular weight of 253.39 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclopentyl(methyl)phosphanium is sourced from PubChem (CID 23418214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).