hexadecyl(phenyl)phosphane

C22H39P — CID 23361411

IUPAChexadecyl(phenyl)phosphane
SMILESCCCCCCCCCCCCCCCCPc1ccccc1
InChIInChI=1S/C22H39P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23-22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3
InChIKeyQBURGGWAWVWALN-UHFFFAOYSA-N
MW334.53 g/mol
LogP7.47
Rot. Bonds16

About hexadecyl(phenyl)phosphane

hexadecyl(phenyl)phosphane (PubChem CID 23361411) has the molecular formula C22H39P and a molecular weight of 334.53 g/mol. Its IUPAC name is hexadecyl(phenyl)phosphane.

Molecular Properties

Compound Namehexadecyl(phenyl)phosphane
PubChem CID23361411
Molecular FormulaC22H39P
Molecular Weight334.53 g/mol
Exact Mass334.28
IUPAC Namehexadecyl(phenyl)phosphane
SMILESCCCCCCCCCCCCCCCCPc1ccccc1
InChIInChI=1S/C22H39P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23-22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3
InChIKeyQBURGGWAWVWALN-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 57.47
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

nonyl(phenyl)phosphane
CID 69424973
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
(4-methylphenyl)-octylphosphane
CID 21096786
butyl(phenyl)phosphane;cyanamide
CID 139534681
diphenylphosphane;octane
CID 19797985
dodecane;phenol
CID 157210063
palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide
CID 18446087
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 hexadecyl(phenyl)phosphane?
The IUPAC name of hexadecyl(phenyl)phosphane (CID 23361411) is hexadecyl(phenyl)phosphane.
What is the SMILES notation for hexadecyl(phenyl)phosphane?
The canonical SMILES for hexadecyl(phenyl)phosphane is CCCCCCCCCCCCCCCCPc1ccccc1.
What is the InChIKey of hexadecyl(phenyl)phosphane?
The InChIKey is QBURGGWAWVWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23-22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3.
What are the key properties of hexadecyl(phenyl)phosphane?
hexadecyl(phenyl)phosphane has a molecular weight of 334.53 g/mol, XLogP of 7.47, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(phenyl)phosphane is sourced from PubChem (CID 23361411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).