dibutyl(1-dibutylphosphanyloctyl)phosphane

C24H52P2 — CID 90109287

IUPACdibutyl(1-dibutylphosphanyloctyl)phosphane
SMILESCCCCCCCC(P(CCCC)CCCC)P(CCCC)CCCC
InChIInChI=1S/C24H52P2/c1-6-11-16-17-18-19-24(25(20-12-7-2)21-13-8-3)26(22-14-9-4)23-15-10-5/h24H,6-23H2,1-5H3
InChIKeyKPFBAOPOFNYOPY-UHFFFAOYSA-N
MW402.63 g/mol
LogP9.84
Rot. Bonds20

About dibutyl(1-dibutylphosphanyloctyl)phosphane

dibutyl(1-dibutylphosphanyloctyl)phosphane (PubChem CID 90109287) has the molecular formula C24H52P2 and a molecular weight of 402.63 g/mol. Its IUPAC name is dibutyl(1-dibutylphosphanyloctyl)phosphane.

Molecular Properties

Compound Namedibutyl(1-dibutylphosphanyloctyl)phosphane
PubChem CID90109287
Molecular FormulaC24H52P2
Molecular Weight402.63 g/mol
Exact Mass402.35
IUPAC Namedibutyl(1-dibutylphosphanyloctyl)phosphane
SMILESCCCCCCCC(P(CCCC)CCCC)P(CCCC)CCCC
InChIInChI=1S/C24H52P2/c1-6-11-16-17-18-19-24(25(20-12-7-2)21-13-8-3)26(22-14-9-4)23-15-10-5/h24H,6-23H2,1-5H3
InChIKeyKPFBAOPOFNYOPY-UHFFFAOYSA-N
XLogP9.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.63
LogP ≤ 59.84
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'}

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Related Compounds

1-dihexylphosphanylhexyl(dihexyl)phosphane
CID 90112069
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
1-dipropylphosphanylpentyl(dipropyl)phosphane
CID 90110051
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
dodecan-5-yl(dioctyl)phosphane
CID 172795592
azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
dihexyl(nonan-4-yl)phosphane
CID 172773657
decan-3-yl(dioctyl)phosphane
CID 150488617
diheptyl(propan-2-yl)phosphane
CID 22497662
dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane
CID 18386849
hexatriacontane-1,1-diamine
CID 21495844

Frequently Asked Questions

What is the IUPAC name of dibutyl(1-dibutylphosphanyloctyl)phosphane?
The IUPAC name of dibutyl(1-dibutylphosphanyloctyl)phosphane (CID 90109287) is dibutyl(1-dibutylphosphanyloctyl)phosphane.
What is the SMILES notation for dibutyl(1-dibutylphosphanyloctyl)phosphane?
The canonical SMILES for dibutyl(1-dibutylphosphanyloctyl)phosphane is CCCCCCCC(P(CCCC)CCCC)P(CCCC)CCCC.
What is the InChIKey of dibutyl(1-dibutylphosphanyloctyl)phosphane?
The InChIKey is KPFBAOPOFNYOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52P2/c1-6-11-16-17-18-19-24(25(20-12-7-2)21-13-8-3)26(22-14-9-4)23-15-10-5/h24H,6-23H2,1-5H3.
What are the key properties of dibutyl(1-dibutylphosphanyloctyl)phosphane?
dibutyl(1-dibutylphosphanyloctyl)phosphane has a molecular weight of 402.63 g/mol, XLogP of 9.84, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(1-dibutylphosphanyloctyl)phosphane is sourced from PubChem (CID 90109287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).