3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane

C25H54P2 — CID 140640311

IUPAC3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane
SMILESCCCCCP(CCCCC)C(CC)(CC)P(CCCCC)CCCCC
InChIInChI=1S/C25H54P2/c1-7-13-17-21-26(22-18-14-8-2)25(11-5,12-6)27(23-19-15-9-3)24-20-16-10-4/h7-24H2,1-6H3
InChIKeyKQXGXBGPDVVCAZ-UHFFFAOYSA-N
MW416.66 g/mol
LogP10.23
Rot. Bonds20

About 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane

3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane (PubChem CID 140640311) has the molecular formula C25H54P2 and a molecular weight of 416.66 g/mol. Its IUPAC name is 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane.

Molecular Properties

Compound Name3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane
PubChem CID140640311
Molecular FormulaC25H54P2
Molecular Weight416.66 g/mol
Exact Mass416.37
IUPAC Name3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane
SMILESCCCCCP(CCCCC)C(CC)(CC)P(CCCCC)CCCCC
InChIInChI=1S/C25H54P2/c1-7-13-17-21-26(22-18-14-8-2)25(11-5,12-6)27(23-19-15-9-3)24-20-16-10-4/h7-24H2,1-6H3
InChIKeyKQXGXBGPDVVCAZ-UHFFFAOYSA-N
XLogP10.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.66
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane with MolForge

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

Launch Full Analysis

Related Compounds

1,1-bis(dihexylphosphanyl)butyl-dihexylphosphane
CID 90108447
tripentylphosphane
CID 2784073
iodo-methyl-pentylphosphane
CID 155088265
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
octacosane;sulfane
CID 157204687
hexane;phosphane;dihydrochloride
CID 173449744
tris(trioctylphosphane);tungsten
CID 158972203
methyl-di(tetradecyl)phosphane
CID 89485367
heptyl(dimethyl)phosphane
CID 18386855
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
dipentyl(phosphanyl)phosphane
CID 87692583

Frequently Asked Questions

What is the IUPAC name of 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane?
The IUPAC name of 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane (CID 140640311) is 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane.
What is the SMILES notation for 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane?
The canonical SMILES for 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane is CCCCCP(CCCCC)C(CC)(CC)P(CCCCC)CCCCC.
What is the InChIKey of 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane?
The InChIKey is KQXGXBGPDVVCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54P2/c1-7-13-17-21-26(22-18-14-8-2)25(11-5,12-6)27(23-19-15-9-3)24-20-16-10-4/h7-24H2,1-6H3.
What are the key properties of 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane?
3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane has a molecular weight of 416.66 g/mol, XLogP of 10.23, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane is sourced from PubChem (CID 140640311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).