dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane

C22H49P3 — CID 90109683

IUPACdibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane
SMILESCCCCP(CCCC)CP(CCCC)CP(CCCC)CCCC
InChIInChI=1S/C22H49P3/c1-6-11-16-23(17-12-7-2)21-25(20-15-10-5)22-24(18-13-8-3)19-14-9-4/h6-22H2,1-5H3
InChIKeyYAPAOFSEEHAWCR-UHFFFAOYSA-N
MW406.56 g/mol
LogP9.35
Rot. Bonds19

About dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane

dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane (PubChem CID 90109683) has the molecular formula C22H49P3 and a molecular weight of 406.56 g/mol. Its IUPAC name is dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane.

Molecular Properties

Compound Namedibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane
PubChem CID90109683
Molecular FormulaC22H49P3
Molecular Weight406.56 g/mol
Exact Mass406.30
IUPAC Namedibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane
SMILESCCCCP(CCCC)CP(CCCC)CP(CCCC)CCCC
InChIInChI=1S/C22H49P3/c1-6-11-16-23(17-12-7-2)21-25(20-15-10-5)22-24(18-13-8-3)19-14-9-4/h6-22H2,1-5H3
InChIKeyYAPAOFSEEHAWCR-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]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

azane;tributylphosphane
CID 87538509
bis(dipropylphosphanylmethyl)-propylphosphane
CID 90108220
gold;tributylphosphane
CID 88800341
ruthenium;tetrakis(tributylphosphane)
CID 137286049
nickel;bis(tributylphosphane)
CID 50940317
nickel(2+);tributylphosphane
CID 161451777
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
cobalt;rhodium;tributylphosphane
CID 174653599
platinum;bis(tributylphosphane);dihydrochloride
CID 101088975
dipropylphosphanylmethyl(dipropyl)phosphane
CID 23420802
dibutyl(tetradecyl)phosphane
CID 118319275
dibutyl(decyl)phosphane
CID 171559269

Frequently Asked Questions

What is the IUPAC name of dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane?
The IUPAC name of dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane (CID 90109683) is dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane.
What is the SMILES notation for dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane?
The canonical SMILES for dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane is CCCCP(CCCC)CP(CCCC)CP(CCCC)CCCC.
What is the InChIKey of dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane?
The InChIKey is YAPAOFSEEHAWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49P3/c1-6-11-16-23(17-12-7-2)21-25(20-15-10-5)22-24(18-13-8-3)19-14-9-4/h6-22H2,1-5H3.
What are the key properties of dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane?
dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane has a molecular weight of 406.56 g/mol, XLogP of 9.35, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane is sourced from PubChem (CID 90109683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).