tricyclopentylphosphanium

C15H28P+ — CID 86309697

IUPACtricyclopentylphosphanium
SMILESC1CCC([PH+](C2CCCC2)C2CCCC2)C1
InChIInChI=1S/C15H27P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h13-15H,1-12H2/p+1
InChIKeyDHWBYAACHDUFAT-UHFFFAOYSA-O
MW239.36 g/mol
LogP5.03
Rot. Bonds3

About tricyclopentylphosphanium

tricyclopentylphosphanium (PubChem CID 86309697) has the molecular formula C15H28P+ and a molecular weight of 239.36 g/mol. Its IUPAC name is tricyclopentylphosphanium.

Molecular Properties

Compound Nametricyclopentylphosphanium
PubChem CID86309697
Molecular FormulaC15H28P+
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametricyclopentylphosphanium
SMILESC1CCC([PH+](C2CCCC2)C2CCCC2)C1
InChIInChI=1S/C15H27P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h13-15H,1-12H2/p+1
InChIKeyDHWBYAACHDUFAT-UHFFFAOYSA-O
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.36
LogP ≤ 55.03
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 tricyclopentylphosphanium?
The IUPAC name of tricyclopentylphosphanium (CID 86309697) is tricyclopentylphosphanium.
What is the SMILES notation for tricyclopentylphosphanium?
The canonical SMILES for tricyclopentylphosphanium is C1CCC([PH+](C2CCCC2)C2CCCC2)C1.
What is the InChIKey of tricyclopentylphosphanium?
The InChIKey is DHWBYAACHDUFAT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H27P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h13-15H,1-12H2/p+1.
What are the key properties of tricyclopentylphosphanium?
tricyclopentylphosphanium has a molecular weight of 239.36 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclopentylphosphanium is sourced from PubChem (CID 86309697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).