dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium)

C31H71O3P3 — CID 158898969

IUPACdioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium)
SMILESCCCCCCCCCCCC[PH+](C)C.CCCCCCCCCCCC[PH+](C)C.CCCP(=O)([O-])[O-]
InChIInChI=1S/2C14H31P.C3H9O3P/c2*1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-3-7(4,5)6/h2*4-14H2,1-3H3;2-3H2,1H3,(H2,4,5,6)
InChIKeyJFENPVPUWKBVSE-UHFFFAOYSA-N
MW584.83 g/mol
LogP10.07
Rot. Bonds24

About dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium)

dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium) (PubChem CID 158898969) has the molecular formula C31H71O3P3 and a molecular weight of 584.83 g/mol. Its IUPAC name is dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium).

Molecular Properties

Compound Namedioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium)
PubChem CID158898969
Molecular FormulaC31H71O3P3
Molecular Weight584.83 g/mol
Exact Mass584.46
IUPAC Namedioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium)
SMILESCCCCCCCCCCCC[PH+](C)C.CCCCCCCCCCCC[PH+](C)C.CCCP(=O)([O-])[O-]
InChIInChI=1S/2C14H31P.C3H9O3P/c2*1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-3-7(4,5)6/h2*4-14H2,1-3H3;2-3H2,1H3,(H2,4,5,6)
InChIKeyJFENPVPUWKBVSE-UHFFFAOYSA-N
XLogP10.07
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.83
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
dodecyl(dimethyl)phosphanium chloride
CID 159854055
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108
magnesium dodecyl-dioxido-oxo-λ5-phosphane
CID 165391544
dimagnesium;dioxido-oxo-propyl-λ5-phosphane;dichloride
CID 153434042
disodium;dodecane;hydrogen phosphate;hydrate
CID 172768251
bis(dioctylphosphinate);nickel(2+)
CID 22743879
sodium dioctylphosphinate
CID 23691904
aluminum tris(didecylphosphinate)
CID 175205611
calcium bis(dihexylphosphinate)
CID 170549963
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214

Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium)?
The IUPAC name of dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium) (CID 158898969) is dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium).
What is the SMILES notation for dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium)?
The canonical SMILES for dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium) is CCCCCCCCCCCC[PH+](C)C.CCCCCCCCCCCC[PH+](C)C.CCCP(=O)([O-])[O-].
What is the InChIKey of dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium)?
The InChIKey is JFENPVPUWKBVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H31P.C3H9O3P/c2*1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-3-7(4,5)6/h2*4-14H2,1-3H3;2-3H2,1H3,(H2,4,5,6).
What are the key properties of dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium)?
dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium) has a molecular weight of 584.83 g/mol, XLogP of 10.07, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-propyl-λ5-phosphane;bis(dodecyl(dimethyl)phosphanium) is sourced from PubChem (CID 158898969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).