bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane

C24H53P3 — CID 58654524

IUPACbis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane
SMILESCCP(CCCP(CC(C)C)CC(C)C)CCCP(CC(C)C)CC(C)C
InChIInChI=1S/C24H53P3/c1-10-25(13-11-15-26(17-21(2)3)18-22(4)5)14-12-16-27(19-23(6)7)20-24(8)9/h21-24H,10-20H2,1-9H3
InChIKeyHFJOIWBDVNBMOC-UHFFFAOYSA-N
MW434.61 g/mol
LogP8.86
Rot. Bonds17

About bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane

bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane (PubChem CID 58654524) has the molecular formula C24H53P3 and a molecular weight of 434.61 g/mol. Its IUPAC name is bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane.

Molecular Properties

Compound Namebis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane
PubChem CID58654524
Molecular FormulaC24H53P3
Molecular Weight434.61 g/mol
Exact Mass434.34
IUPAC Namebis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane
SMILESCCP(CCCP(CC(C)C)CC(C)C)CCCP(CC(C)C)CC(C)C
InChIInChI=1S/C24H53P3/c1-10-25(13-11-15-26(17-21(2)3)18-22(4)5)14-12-16-27(19-23(6)7)20-24(8)9/h21-24H,10-20H2,1-9H3
InChIKeyHFJOIWBDVNBMOC-UHFFFAOYSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane 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 bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane?
The IUPAC name of bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane (CID 58654524) is bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane.
What is the SMILES notation for bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane?
The canonical SMILES for bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane is CCP(CCCP(CC(C)C)CC(C)C)CCCP(CC(C)C)CC(C)C.
What is the InChIKey of bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane?
The InChIKey is HFJOIWBDVNBMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53P3/c1-10-25(13-11-15-26(17-21(2)3)18-22(4)5)14-12-16-27(19-23(6)7)20-24(8)9/h21-24H,10-20H2,1-9H3.
What are the key properties of bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane?
bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane has a molecular weight of 434.61 g/mol, XLogP of 8.86, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane is sourced from PubChem (CID 58654524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).