(4-tert-butylphenyl)-dicyclopentylphosphane

C20H31P — CID 118057418

IUPAC(4-tert-butylphenyl)-dicyclopentylphosphane
SMILESCC(C)(C)c1ccc(P(C2CCCC2)C2CCCC2)cc1
InChIInChI=1S/C20H31P/c1-20(2,3)16-12-14-19(15-13-16)21(17-8-4-5-9-17)18-10-6-7-11-18/h12-15,17-18H,4-11H2,1-3H3
InChIKeyAZFGBIKEAZLFPF-UHFFFAOYSA-N
MW302.44 g/mol
LogP5.98
Rot. Bonds3

About (4-tert-butylphenyl)-dicyclopentylphosphane

(4-tert-butylphenyl)-dicyclopentylphosphane (PubChem CID 118057418) has the molecular formula C20H31P and a molecular weight of 302.44 g/mol. Its IUPAC name is (4-tert-butylphenyl)-dicyclopentylphosphane.

Molecular Properties

Compound Name(4-tert-butylphenyl)-dicyclopentylphosphane
PubChem CID118057418
Molecular FormulaC20H31P
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC Name(4-tert-butylphenyl)-dicyclopentylphosphane
SMILESCC(C)(C)c1ccc(P(C2CCCC2)C2CCCC2)cc1
InChIInChI=1S/C20H31P/c1-20(2,3)16-12-14-19(15-13-16)21(17-8-4-5-9-17)18-10-6-7-11-18/h12-15,17-18H,4-11H2,1-3H3
InChIKeyAZFGBIKEAZLFPF-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-tert-butylphenyl)-dicyclopentylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-dicyclopentylphosphane?
The IUPAC name of (4-tert-butylphenyl)-dicyclopentylphosphane (CID 118057418) is (4-tert-butylphenyl)-dicyclopentylphosphane.
What is the SMILES notation for (4-tert-butylphenyl)-dicyclopentylphosphane?
The canonical SMILES for (4-tert-butylphenyl)-dicyclopentylphosphane is CC(C)(C)c1ccc(P(C2CCCC2)C2CCCC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-dicyclopentylphosphane?
The InChIKey is AZFGBIKEAZLFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31P/c1-20(2,3)16-12-14-19(15-13-16)21(17-8-4-5-9-17)18-10-6-7-11-18/h12-15,17-18H,4-11H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-dicyclopentylphosphane?
(4-tert-butylphenyl)-dicyclopentylphosphane has a molecular weight of 302.44 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-dicyclopentylphosphane is sourced from PubChem (CID 118057418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).