hexyl(phenyl)phosphane;dihydrochloride

C24H40Cl2P2 — CID 175399433

IUPAChexyl(phenyl)phosphane;dihydrochloride
SMILESCCCCCCPc1ccccc1.CCCCCCPc1ccccc1.Cl.Cl
InChIInChI=1S/2C12H19P.2ClH/c2*1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h2*5-7,9-10,13H,2-4,8,11H2,1H3;2*1H
InChIKeyXAQOOCHBBDDKDK-UHFFFAOYSA-N
MW461.44 g/mol
LogP7.99
Rot. Bonds12

About hexyl(phenyl)phosphane;dihydrochloride

hexyl(phenyl)phosphane;dihydrochloride (PubChem CID 175399433) has the molecular formula C24H40Cl2P2 and a molecular weight of 461.44 g/mol. Its IUPAC name is hexyl(phenyl)phosphane;dihydrochloride.

Molecular Properties

Compound Namehexyl(phenyl)phosphane;dihydrochloride
PubChem CID175399433
Molecular FormulaC24H40Cl2P2
Molecular Weight461.44 g/mol
Exact Mass460.20
IUPAC Namehexyl(phenyl)phosphane;dihydrochloride
SMILESCCCCCCPc1ccccc1.CCCCCCPc1ccccc1.Cl.Cl
InChIInChI=1S/2C12H19P.2ClH/c2*1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h2*5-7,9-10,13H,2-4,8,11H2,1H3;2*1H
InChIKeyXAQOOCHBBDDKDK-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 57.99
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

hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
(4-methylphenyl)-octylphosphane
CID 21096786
butyl(phenyl)phosphane;cyanamide
CID 139534681
diphenylphosphane;octane
CID 19797985
palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide
CID 18446087
dodecane;phenol
CID 157210063
triphenyl(9-phenylphosphanylnonyl)phosphanium
CID 90048774
6-phenylphosphanylhexanoic acid
CID 159172711
benzyl(pentadecyl)phosphane
CID 174798233
1,1'-biphenyl;hexadecane
CID 173308514
(4-octoxyphenyl)-phenylphosphane
CID 157378460

Frequently Asked Questions

What is the IUPAC name of hexyl(phenyl)phosphane;dihydrochloride?
The IUPAC name of hexyl(phenyl)phosphane;dihydrochloride (CID 175399433) is hexyl(phenyl)phosphane;dihydrochloride.
What is the SMILES notation for hexyl(phenyl)phosphane;dihydrochloride?
The canonical SMILES for hexyl(phenyl)phosphane;dihydrochloride is CCCCCCPc1ccccc1.CCCCCCPc1ccccc1.Cl.Cl.
What is the InChIKey of hexyl(phenyl)phosphane;dihydrochloride?
The InChIKey is XAQOOCHBBDDKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H19P.2ClH/c2*1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h2*5-7,9-10,13H,2-4,8,11H2,1H3;2*1H.
What are the key properties of hexyl(phenyl)phosphane;dihydrochloride?
hexyl(phenyl)phosphane;dihydrochloride has a molecular weight of 461.44 g/mol, XLogP of 7.99, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(phenyl)phosphane;dihydrochloride is sourced from PubChem (CID 175399433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).