4-dihexylphosphanylbutyl(dihexyl)phosphane

C28H60P2 — CID 90109945

IUPAC4-dihexylphosphanylbutyl(dihexyl)phosphane
SMILESCCCCCCP(CCCCCC)CCCCP(CCCCCC)CCCCCC
InChIInChI=1S/C28H60P2/c1-5-9-13-17-23-29(24-18-14-10-6-2)27-21-22-28-30(25-19-15-11-7-3)26-20-16-12-8-4/h5-28H2,1-4H3
InChIKeyIHTBLFRJDRCASY-UHFFFAOYSA-N
MW458.74 g/mol
LogP11.05
Rot. Bonds25

About 4-dihexylphosphanylbutyl(dihexyl)phosphane

4-dihexylphosphanylbutyl(dihexyl)phosphane (PubChem CID 90109945) has the molecular formula C28H60P2 and a molecular weight of 458.74 g/mol. Its IUPAC name is 4-dihexylphosphanylbutyl(dihexyl)phosphane.

Molecular Properties

Compound Name4-dihexylphosphanylbutyl(dihexyl)phosphane
PubChem CID90109945
Molecular FormulaC28H60P2
Molecular Weight458.74 g/mol
Exact Mass458.42
IUPAC Name4-dihexylphosphanylbutyl(dihexyl)phosphane
SMILESCCCCCCP(CCCCCC)CCCCP(CCCCCC)CCCCCC
InChIInChI=1S/C28H60P2/c1-5-9-13-17-23-29(24-18-14-10-6-2)27-21-22-28-30(25-19-15-11-7-3)26-20-16-12-8-4/h5-28H2,1-4H3
InChIKeyIHTBLFRJDRCASY-UHFFFAOYSA-N
XLogP11.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.74
LogP ≤ 511.05
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

hexyl-octyl-pentylphosphane
CID 90108526
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
dibutyl(decyl)phosphane
CID 171559269
bismuthane;trioctylphosphane
CID 174398286
tris(trioctylphosphane);tungsten
CID 158972203
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
dibutyl(tetradecyl)phosphane
CID 118319275
tripentylphosphane
CID 2784073
cadmium;selane;trioctylphosphane
CID 174961482
bromomethane;trioctylphosphane
CID 175266178
azane;trioctylphosphane;hydrobromide
CID 174675093

Frequently Asked Questions

What is the IUPAC name of 4-dihexylphosphanylbutyl(dihexyl)phosphane?
The IUPAC name of 4-dihexylphosphanylbutyl(dihexyl)phosphane (CID 90109945) is 4-dihexylphosphanylbutyl(dihexyl)phosphane.
What is the SMILES notation for 4-dihexylphosphanylbutyl(dihexyl)phosphane?
The canonical SMILES for 4-dihexylphosphanylbutyl(dihexyl)phosphane is CCCCCCP(CCCCCC)CCCCP(CCCCCC)CCCCCC.
What is the InChIKey of 4-dihexylphosphanylbutyl(dihexyl)phosphane?
The InChIKey is IHTBLFRJDRCASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60P2/c1-5-9-13-17-23-29(24-18-14-10-6-2)27-21-22-28-30(25-19-15-11-7-3)26-20-16-12-8-4/h5-28H2,1-4H3.
What are the key properties of 4-dihexylphosphanylbutyl(dihexyl)phosphane?
4-dihexylphosphanylbutyl(dihexyl)phosphane has a molecular weight of 458.74 g/mol, XLogP of 11.05, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dihexylphosphanylbutyl(dihexyl)phosphane is sourced from PubChem (CID 90109945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).