1-dihexylphosphanyloctyl(dihexyl)phosphane

C32H68P2 — CID 90111410

IUPAC1-dihexylphosphanyloctyl(dihexyl)phosphane
SMILESCCCCCCCC(P(CCCCCC)CCCCCC)P(CCCCCC)CCCCCC
InChIInChI=1S/C32H68P2/c1-6-11-16-21-22-27-32(33(28-23-17-12-7-2)29-24-18-13-8-3)34(30-25-19-14-9-4)31-26-20-15-10-5/h32H,6-31H2,1-5H3
InChIKeyIJGJSVLEKJDUIH-UHFFFAOYSA-N
MW514.84 g/mol
LogP12.96
Rot. Bonds28

About 1-dihexylphosphanyloctyl(dihexyl)phosphane

1-dihexylphosphanyloctyl(dihexyl)phosphane (PubChem CID 90111410) has the molecular formula C32H68P2 and a molecular weight of 514.84 g/mol. Its IUPAC name is 1-dihexylphosphanyloctyl(dihexyl)phosphane.

Molecular Properties

Compound Name1-dihexylphosphanyloctyl(dihexyl)phosphane
PubChem CID90111410
Molecular FormulaC32H68P2
Molecular Weight514.84 g/mol
Exact Mass514.48
IUPAC Name1-dihexylphosphanyloctyl(dihexyl)phosphane
SMILESCCCCCCCC(P(CCCCCC)CCCCCC)P(CCCCCC)CCCCCC
InChIInChI=1S/C32H68P2/c1-6-11-16-21-22-27-32(33(28-23-17-12-7-2)29-24-18-13-8-3)34(30-25-19-14-9-4)31-26-20-15-10-5/h32H,6-31H2,1-5H3
InChIKeyIJGJSVLEKJDUIH-UHFFFAOYSA-N
XLogP12.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.84
LogP ≤ 512.96
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
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
1-dipropylphosphanylpentyl(dipropyl)phosphane
CID 90110051
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
diheptyl(pentan-3-yl)phosphane
CID 87508325
heptyl(dimethyl)phosphane
CID 18386855

Frequently Asked Questions

What is the IUPAC name of 1-dihexylphosphanyloctyl(dihexyl)phosphane?
The IUPAC name of 1-dihexylphosphanyloctyl(dihexyl)phosphane (CID 90111410) is 1-dihexylphosphanyloctyl(dihexyl)phosphane.
What is the SMILES notation for 1-dihexylphosphanyloctyl(dihexyl)phosphane?
The canonical SMILES for 1-dihexylphosphanyloctyl(dihexyl)phosphane is CCCCCCCC(P(CCCCCC)CCCCCC)P(CCCCCC)CCCCCC.
What is the InChIKey of 1-dihexylphosphanyloctyl(dihexyl)phosphane?
The InChIKey is IJGJSVLEKJDUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68P2/c1-6-11-16-21-22-27-32(33(28-23-17-12-7-2)29-24-18-13-8-3)34(30-25-19-14-9-4)31-26-20-15-10-5/h32H,6-31H2,1-5H3.
What are the key properties of 1-dihexylphosphanyloctyl(dihexyl)phosphane?
1-dihexylphosphanyloctyl(dihexyl)phosphane has a molecular weight of 514.84 g/mol, XLogP of 12.96, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dihexylphosphanyloctyl(dihexyl)phosphane is sourced from PubChem (CID 90111410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).