palladium;prop-1-ene;tricyclopentylphosphanium

C18H33PPd — CID 87962886

IUPACpalladium;prop-1-ene;tricyclopentylphosphanium
SMILESC1CCC([PH+](C2CCCC2)C2CCCC2)C1.C=C[CH2-].[Pd]
InChIInChI=1S/C15H27P.C3H5.Pd/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;1-3-2;/h13-15H,1-12H2;3H,1-2H2;/q;-1;/p+1
InChIKeyYSWPDTPLKYRHST-UHFFFAOYSA-O
MW386.86 g/mol
LogP6.03
Rot. Bonds3

About palladium;prop-1-ene;tricyclopentylphosphanium

palladium;prop-1-ene;tricyclopentylphosphanium (PubChem CID 87962886) has the molecular formula C18H33PPd and a molecular weight of 386.86 g/mol. Its IUPAC name is palladium;prop-1-ene;tricyclopentylphosphanium.

Molecular Properties

Compound Namepalladium;prop-1-ene;tricyclopentylphosphanium
PubChem CID87962886
Molecular FormulaC18H33PPd
Molecular Weight386.86 g/mol
Exact Mass386.14
IUPAC Namepalladium;prop-1-ene;tricyclopentylphosphanium
SMILESC1CCC([PH+](C2CCCC2)C2CCCC2)C1.C=C[CH2-].[Pd]
InChIInChI=1S/C15H27P.C3H5.Pd/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;1-3-2;/h13-15H,1-12H2;3H,1-2H2;/q;-1;/p+1
InChIKeyYSWPDTPLKYRHST-UHFFFAOYSA-O
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.86
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of palladium;prop-1-ene;tricyclopentylphosphanium?
The IUPAC name of palladium;prop-1-ene;tricyclopentylphosphanium (CID 87962886) is palladium;prop-1-ene;tricyclopentylphosphanium.
What is the SMILES notation for palladium;prop-1-ene;tricyclopentylphosphanium?
The canonical SMILES for palladium;prop-1-ene;tricyclopentylphosphanium is C1CCC([PH+](C2CCCC2)C2CCCC2)C1.C=C[CH2-].[Pd].
What is the InChIKey of palladium;prop-1-ene;tricyclopentylphosphanium?
The InChIKey is YSWPDTPLKYRHST-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H27P.C3H5.Pd/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;1-3-2;/h13-15H,1-12H2;3H,1-2H2;/q;-1;/p+1.
What are the key properties of palladium;prop-1-ene;tricyclopentylphosphanium?
palladium;prop-1-ene;tricyclopentylphosphanium has a molecular weight of 386.86 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;prop-1-ene;tricyclopentylphosphanium is sourced from PubChem (CID 87962886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).